bluuebunny/crossref_metadata_2025_split huggingface dataset:
Numerical simulation and experimental study on ultrafine powder spiral transportation degassing
Authors: Yang Lei , Li Yingpeng , Wang Zhenmin , Xu Xuemeng 
Published: April 2024

Abstract
Aiming at the problems of ultrafine powders of high air content and environmental pollution, low measurement accuracy and low efficiency in packaging and filling process, the research on degassing spiral powder transportation was carried out. Discrete element method and physical experiment method were used to simulate and test the mass flow rate, material density and dust concentration of packaging environment of equidistant spiral and degassing (variable pitch) spiral powder transportation, and the transportation effects of equidistant spiral and degassing spiral were analyzed.Simulation and test results show that the average mass flow rate of the degassing screw is 0.639 kg s−1 with the same screw outer diameter, inner shaft diameter, length and rotational speed, and the flow rate fluctuates with the percentage of fluctuation in the range of 7.19% − 10.02%. The degassing spiral increases the mass flow rate of the feeding device and reduces the flow fluctuation,and the maximum densification of the material was increased by about 7.25%. With the increase of rotational speed, the environmental dust lifting degree of both spiral filling processes increased, but under the same rotational speed, the dust lifting degree of the outlet of the degassing spiral was significantly reduced compared to the isometric spiral, and the rotational speed was increased from 80 to 120 r min−1, the maximum dust lifting degree of the isometric spiral was 37.88%, and the average dust lifting degree of the maximum was 25.59%, and the maximum dust lifting degree of the degassing spiral was 21.59%. The maximum dust lifting degree of the degassing spiral is 21.18%, and the maximum increase of the average dust lifting degree is 14.49%. Degassing spiral device effectively realises efficient and clean packaging of ultra-fine powder.
Generation of conformational ensembles of small molecules via surrogate model-assisted molecular dynamics
Authors: Viguera Diez Juan , Romeo Atance Sara , Engkvist Ola , Olsson Simon 
Published: April 2024

Abstract
The accurate prediction of thermodynamic properties is crucial in various fields such as drug discovery and materials design. This task relies on sampling from the underlying Boltzmann distribution, which is challenging using conventional approaches such as simulations. In this work, we introduce surrogate model-assisted molecular dynamics (SMA-MD), a new procedure to sample the equilibrium ensemble of molecules. First, SMA-MD leverages deep generative models to enhance the sampling of slow degrees of freedom. Subsequently, the generated ensemble undergoes statistical reweighting, followed by short simulations. Our empirical results show that SMA-MD generates more diverse and lower energy ensembles than conventional MD simulations. Furthermore, we showcase the application of SMA-MD for the computation of thermodynamical properties by estimating implicit solvation free energies.
Multiple prenatal exposures and acute-care clinical encounters for asthma among children born to mothers living near a Superfund site
Authors: Khalili Roxana , Legaspi Jesselle M , Fabian M Patricia , Levy Jonathan I , Korrick Susan A , Vieira Verónica M 
Published: April 2024

Abstract
Prenatal exposures are associated with childhood asthma, and risk may increase with simultaneous exposures. Pregnant women living in lower-income communities tend to have elevated exposures to a range of potential asthma risk factors, which may interact in complex ways. We examined the association between prenatal exposures and the risk of childhood acute-care clinical encounters for asthma (hospitalizations, emergency department visits, observational stays) using conditional logistic regression with a multivariable smoothing term to model the interaction between continuous variables, adjusted for maternal characteristics and stratified by sex. All births near the New Bedford Harbor (NBH) Superfund site (2000-2006) in New Bedford, Massachusetts, were followed through 2011 using the Massachusetts Pregnancy to Early Life Longitudinal (PELL) Data System to identify children aged 5-11 years with acute-care clinical asthma encounters (265 cases among 7787 children with follow-up). Hazard ratios (HRs) were higher for children living closer to the NBH site with higher umbilical cord blood lead levels than in children living further away from the NBH site with lower lead levels (P &lt;.001). HRs were higher for girls (HR = 4.17; 95% CI, 3.60-4.82) than for boys (HR = 1.72; 95% CI, 1.46-2.02). Our results suggest that prenatal lead exposure in combination with residential proximity to the NBH Superfund site is associated with childhood asthma acute-care clinical encounters.
This article is part of a Special Collection on Environmental Epidemiology.
Evaluation of pharmacy-supplied half and quarter tablets at an academic medical center
Authors: Blake Caitlyn , Dwenger Andrew , Fox Erin R 
Published: April 2024

Abstract

Purpose
Manipulation of tablet medications to produce a customized dose is common practice, and splitting tablets may reduce the acquisition cost of the medication. However, cost savings may be diminished by the cost of the increased labor and repackaging materials needed when splitting tablets. Splitting tablets may also result in safety concerns if the final products are under (eg, reduced benefit) or over (eg, toxicity) the desired dosage. The purpose of this quality improvement project was to evaluate and recommend changes for all half- and quarter-tablet medications prepared and distributed from the inpatient pharmacy at University of Utah Health (U of U Health).

Summary
The evaluation included all half- and quarter-tablet medications prepared by pharmacy technicians for administration to patients admitted to U of U Health hospitals. A final list of 173 half- and quarter-tablet dosages was evaluated for opportunities to decrease the total number. On the basis of the developed criteria, 93 half- and quarter-tablet dosages (54%) were recommended to be removed from routine stock in the inpatient pharmacy. Systems remain in place to create customized half and quarter tablets if required for patient care.

Conclusion
Reducing the number of medications for which half and quarter tablets are used may allow pharmacy technicians to prioritize other patient care tasks and potentially decrease waste.
The Reverse Dual Plane: A Novel Technique for Endoscopic Transaxillary Breast Augmentation
Authors: Ya Zumeng , Xiao Lin , Zhou Luheng 
Published: April 2024

Abstract

Background
Quite a few Asian patients prefer axillary incision for breast augmentation. However, this surgery needs improvement.

Objectives
To introduce a reverse dual-plane technique through a transaxillary approach and compare it with a transaxillary dual-plane approach.

Methods
Eighty-two patients were divided into Group A (n = 40) and Group B (n = 42). Axillary incision and endoscope were utilized in the 2 groups. Tebbetts’ dual plane was performed in Group A patients. Patients in Group B underwent our reverse dual-plane technique, in which the upper 70% was subfascial and the lower 30% was subpectoral, with the fascia of the external oblique and anterior serratus being elevated together with the pectoral muscle. The Numeric Pain Rating Scale (NPRS) scores were recorded daily for 7 days. Breast shape and softness, in both sitting and supine positions, were assessed by the patients, and complications were compared.

Results
The NPRS scores of Group B patients were significantly lower than those of Group A patients (P &lt; .01). The satisfaction rate of shape and softness in the seated position was not significantly different (P &gt; .05). However, in the supine position, only 20 patients (50.0%) in Group A and 32 patients (76.2%) in Group B were satisfied with their breast softness (P &lt; .01), and the breasts of the others became stiffer. Breast animation deformity (BAD) occurred in 2 patients in Group A and in no patient in Group B (P &lt; .01). Other complications were not significantly different.

Conclusions
Compared with Tebbetts’ dual plane, this procedure significantly reduced pain, improved breast softness, and eliminated BAD, without increasing complications.

Level of Evidence: 4
The challenge of incorporating ex situ strategies for jaguar conservation
Authors: Font Daniela , Gómez Fernández María Jimena , Robino Facundo , Aued Bettina , De Bustos Soledad , Paviolo Agustín , Quiroga Verónica , Mirol Patricia 
Published: April 2024

Abstract
The loss of biodiversity is an ongoing process and existing efforts to halt it are based on different conservation strategies. The ‘One Plan approach’ introduced by The International Union for Conservation of Nature proposes to consider all populations of a species under a unified management plan. In this work we follow this premise in order to unify in situ and ex situ management of one of the most critically endangered mammals in Argentina, the jaguar (Panthera onca). We assessed pedigrees of captive animals, finding that 44.93% of the reported relatedness was erroneous according to molecular data. Captive individuals formed a distinct genetic cluster. The three remaining locations for jaguars in Argentina constitute two genetic groups, the Atlantic Forest and the Chaco–Yungas clusters. Genetic variability is low compared with other populations of the species in the Americas and it is not significantly different between wild and captive populations in Argentina. These findings demonstrate that genetic studies aiming to include captive individuals into conservation management are very valuable, and should incorporate several parameters such as mean individual relatedness, individual inbreeding, rare and private alleles, and mitochondrial haplotypes. Finally, we discuss two ongoing ex situ management actions and postulate the need for genetic monitoring of the breeding and release of animals.
Identification of complier and noncomplier average causal effects in the presence of latent missing-at-random (LMAR) outcomes: a unifying view and choices of assumptions
Authors: Nguyen Trang Quynh , Carlson Michelle C , Stuart Elizabeth A 
Published: April 2024

Abstract
The study of treatment effects is often complicated by noncompliance and missing data. In the one-sided noncompliance setting where of interest are the complier and noncomplier average causal effects, we address outcome missingness of the latent missing at random type (LMAR, also known as latent ignorability). That is, conditional on covariates and treatment assigned, the missingness may depend on compliance type. Within the instrumental variable (IV) approach to noncompliance, methods have been proposed for handling LMAR outcome that additionally invoke an exclusion restriction-type assumption on missingness, but no solution has been proposed for when a non-IV approach is used. This article focuses on effect identification in the presence of LMAR outcomes, with a view to flexibly accommodate different principal identification approaches. We show that under treatment assignment ignorability and LMAR only, effect nonidentifiability boils down to a set of two connected mixture equations involving unidentified stratum-specific response probabilities and outcome means. This clarifies that (except for a special case) effect identification generally requires two additional assumptions: a specific missingness mechanism assumption and a principal identification assumption. This provides a template for identifying effects based on separate choices of these assumptions. We consider a range of specific missingness assumptions, including those that have appeared in the literature and some new ones. Incidentally, we find an issue in the existing assumptions, and propose a modification of the assumptions to avoid the issue. Results under different assumptions are illustrated using data from the Baltimore Experience Corps Trial.
Synthesis of fused oligosiloles by rhodium-catalyzed stitching reaction and subsequent remote conjugate dehydration
Authors: Morita Masaki , Shintani Ryo 
Published: April 2024

Abstract
A new synthetic method for π-conjugated fused oligosiloles has been developed by combining a rhodium-catalyzed stitching reaction and subsequent remote conjugate elimination. Aromatization-driven 1,8-, 1,10-, or 1,12-dehydration was successfully utilized and up to 3 silole units were consecutively fused in a π-conjugated manner. The structural change upon conjugate elimination was confirmed by using X-ray crystallographic analysis, and the optical and electrochemical properties of a series of newly synthesized fused oligosiloles were also examined.
Impact of different age ranges on the benefits and harms of the breast cancer screening programme by the EU-TOPIA tool
Authors: Pinto-Carbó Marina , Vanaclocha-Espí Mercedes , Martín-Pozuelo Javier , Romeo-Cervera Paula , Hernández-García Marta , Ibáñez Josefa , Castán-Cameo Susana , Salas Dolores , van Ravesteyn Nicolien T , de Koning Harry , Zurriaga Óscar , Molina-Barceló Ana 
Published: April 2024

Abstract

Background
The recommendation for the implementation of mammography screening in women aged 45–49 and 70–74 is conditional with moderate certainty of the evidence. The aim of this study is to simulate the long-term outcomes (2020–50) of using different age range scenarios in the breast cancer screening programme of the Valencia Region (Spain), considering different programme participation rates.

Methods
Three age range scenarios (S) were simulated with the EU-TOPIA tool, considering a biennial screening interval: S1, 45–69 years old (y); S2, 50–69 y and S3, 45–74 y. Simulations were performed for four participation rates: A = current participation (72.7%), B = +5%, C = +10% and D = +20%. Considered benefits: number (N°) of in situ and invasive breast cancers (BC) (screen vs. clinically detected), N° of BC deaths and % BC mortality reduction. Considered harms: N° of false positives (FP) and % overdiagnosis.

Results
The results showed that BC mortality decreased in all scenarios, being higher in S3A (32.2%) than S1A (30.6%) and S2A (27.9%). Harms decreased in S2A vs. S1A (N° FP: 236 vs. 423, overdiagnosis: 4.9% vs. 5.0%) but also benefits (BC mortality reduction: 27.9% vs. 30.6%, N° screen-detected invasive BC 15/28 vs. 18/25). In S3A vs. S1A, an increase in benefits was observed (BC mortality reduction: 32.2% vs. 30.6%), N° screen-detected in situ B: 5/2 vs. 4/3), but also in harms (N° FP: 460 vs. 423, overdiagnosis: 5.8% vs. 5.0%). Similar trends were observed with increased participation.

Conclusions
As the age range increases, so does not only the reduction in BC mortality, but also the probability of FP and overdiagnosis.
The effect of miniaturization on the evolution of sexual size dimorphism in geckos
Authors: Glynne Elizabeth , Adams Dean C 
Published: April 2024

Abstract
The evolution of miniaturization can result in dramatic alterations of morphology, physiology, and behavior; however, the effects of miniaturization on sexual dimorphism remain largely unknown. Here we investigate how miniaturization influences patterns of sexual size dimorphism (SSD) in geckos. Measuring 1,875 individuals from 131 species, we characterized patterns of SSD relative to body size across two families. We found that miniaturized species were more female biased than non-miniaturized species. Additionally, one family that contained many miniaturized species (Sphaerodactylidae) displayed allometric patterns in SSD with body size, where larger species were male biased and smaller species were more female biased. Smaller species in this lineage also produced proportionally larger eggs. By contrast, another family containing few miniaturized species (Phyllodactylidae) displayed a more isometric trend. Together, these observations are consistent with the hypothesis that selection for increased reproductive success in small species of Sphaerodactylidae results in female-biased SSD in these taxa, which in turn drives the positive SSD allometry observed in this lineage. Thus, selection for increased miniaturization in the clade may be offset by selection on maintaining a female size in smaller taxa that ensures reproductive success.
Functional redundancy revealed by the deletion of the mimivirus GMC-oxidoreductase genes
Authors: Alempic Jean-Marie , Bisio Hugo , Villalta Alejandro , Santini Sébastien , Lartigue Audrey , Schmitt Alain , Bugnot Claire , Notaro Anna , Belmudes Lucid , Adrait Annie , Poirot Olivier , Ptchelkine Denis , De Castro Cristina , Couté Yohann , Abergel Chantal 
Published: April 2024

Abstract
The mimivirus 1.2 Mb genome was shown to be organized into a nucleocapsid-like genomic fiber encased in the nucleoid compartment inside the icosahedral capsid. The genomic fiber protein shell is composed of a mixture of two GMC-oxidoreductase paralogs, one of them being the main component of the glycosylated layer of fibrils at the surface of the virion. In this study, we determined the effect of the deletion of each of the corresponding genes on the genomic fiber and the layer of surface fibrils. First, we deleted the GMC-oxidoreductase, the most abundant in the genomic fiber, and determined its structure and composition in the mutant. As expected, it was composed of the second GMC-oxidoreductase and contained 5- and 6-start helices similar to the wild-type fiber. This result led us to propose a model explaining their coexistence. Then we deleted the GMC-oxidoreductase, the most abundant in the layer of fibrils, to analyze its protein composition in the mutant. Second, we showed that the fitness of single mutants and the double mutant were not decreased compared with the wild-type viruses under laboratory conditions. Third, we determined that deleting the GMC-oxidoreductase genes did not impact the glycosylation or the glycan composition of the layer of surface fibrils, despite modifying their protein composition. Because the glycosylation machinery and glycan composition of members of different clades are different, we expanded the analysis of the protein composition of the layer of fibrils to members of the B and C clades and showed that it was different among the three clades and even among isolates within the same clade. Taken together, the results obtained on two distinct central processes (genome packaging and virion coating) illustrate an unexpected functional redundancy in members of the family Mimiviridae, suggesting this may be the major evolutionary force behind their giant genomes.
Validation of positional candidates Rps6ka6 and Pou3f4 for a locus associated with skeletal muscle mass variability
Authors: Lekkos Konstantinos , Bhuiyan Afra A , Albloshi Abdullah M K , Brooks Paige M , Coate Thomas M , Lionikas Arimantas 
Published: April 2024

Abstract
Genetic variability significantly contributes to individual differences in skeletal muscle mass; however, the specific genes involved in that process remain elusive. In this study, we examined the role of positional candidates, Rps6ka6 and Pou3f4, of a chromosome X locus, implicated in muscle mass variability in CFW laboratory mice. Histology of hindlimb muscles was studied in CFW male mice carrying the muscle “increasing” allele C (n = 15) or “decreasing” allele T (n = 15) at the peak marker of the locus, rs31308852, and in the Pou3f4y/− and their wild-type male littermates. To study the role of the Rps6ka6 gene, we deleted exon 7 (Rps6ka6-ΔE7) using clustered regularly interspaced palindromic repeats-Cas9 based method in H2Kb myogenic cells creating a severely truncated RSK4 protein. We then tested whether that mutation affected myoblast proliferation, migration, and/or differentiation. The extensor digitorum longus muscle was 7% larger (P &lt; 0.0001) due to 10% more muscle fibers (P = 0.0176) in the carriers of the “increasing” compared with the “decreasing” CFW allele. The number of fibers was reduced by 15% (P = 0.0268) in the slow-twitch soleus but not in the fast-twitch extensor digitorum longus (P = 0.2947) of Pou3f4y/− mice. The proliferation and migration did not differ between the Rps6ka6-ΔE7 and wild-type H2Kb myoblasts. However, indices of differentiation (myosin expression, P &lt; 0.0001; size of myosin-expressing cells, P &lt; 0.0001; and fusion index, P = 0.0013) were significantly reduced in Rps6ka6-ΔE7 cells. This study suggests that the effect of the X chromosome locus on muscle fiber numbers in the fast-twitch extensor digitorum longus is mediated by the Rps6ka6 gene, whereas the Pou3f4 gene affects fiber number in slow-twitch soleus.
Retention of an Endosymbiont for the Production of a Single Molecule
Authors: Garber Arkadiy I , Garcia de la Filia Molina Andrés , Vea Isabelle M , Mongue Andrew J , Ross Laura , McCutcheon John P 
Published: April 2024

Abstract
Sap-feeding insects often maintain two or more nutritional endosymbionts that act in concert to produce compounds essential for insect survival. Many mealybugs have endosymbionts in a nested configuration: one or two bacterial species reside within the cytoplasm of another bacterium, and together, these bacteria have genomes that encode interdependent sets of genes needed to produce key nutritional molecules. Here, we show that the mealybug Pseudococcus viburni has three endosymbionts, one of which contributes only two unique genes that produce the host nutrition-related molecule chorismate. All three bacterial endosymbionts have tiny genomes, suggesting that they have been coevolving inside their insect host for millions of years.
Placebo Effects Are Small on Average in the 7.5% CO2 Inhalational Model of Generalized Anxiety
Authors: Huneke Nathan T M , Cross Cosmina , Fagan Harry A , Molteni Laura , Phillips Naomi , Garner Matthew , Baldwin David S 
Published: April 2024

Abstract

Background
Anxiety disorders are highly prevalent and socio-economically costly. Novel pharmacological treatments for these disorders are needed because many patients do not respond to current agents or experience unwanted side effects. However, a barrier to treatment development is the variable and large placebo response rate seen in trials of novel anxiolytics. Despite this, the mechanisms that drive placebo responses in anxiety disorders have been little investigated, possibly due to low availability of convenient experimental paradigms. We aimed to develop and test a novel protocol for inducing placebo anxiolysis in the 7.5% CO2 inhalational model of generalized anxiety in healthy volunteers.

Methods
Following a baseline 20-minute CO2 challenge, 32 healthy volunteers were administered a placebo intranasal spray labelled as either the anxiolytic “lorazepam” or “saline.” Following this, participants surreptitiously underwent a 20-minute inhalation of normal air. Post-conditioning, a second dose of the placebo was administered, after which participants completed another CO2 challenge.

Results
Participants administered sham “lorazepam” reported significant positive expectations of reduced anxiety (P = .001), but there was no group-level placebo effect on anxiety following CO2 challenge post-conditioning (Ps &gt; .350). Surprisingly, we found many participants exhibited unexpected worsening of anxiety, despite positive expectations.

Conclusions
Contrary to our hypothesis, our novel paradigm did not induce a placebo response, on average. It is possible that effects of 7.5% CO2 inhalation on prefrontal cortex function or behavior in line with a Bayesian predictive coding framework attenuated the effect of expectations on subsequent placebo response. Future studies are needed to explore these possibilities.