bluuebunny/crossref_metadata_2025 huggingface dataset:
Heat transfer enhancement using elliptical fin microchannel
Authors: Pallikonda Mahesh , Kupireddi Kiran Kumar , Balasubramanian Karthik , V.P Chandramohan , Lee Poh Seng , Kong Chui Chee
Published: October 2021

Thermal performance and fluid flow characteristics of elliptical fin microchannel are numerically investigated by varying fin orientation in the laminar flow region. Six distinctly oriented elliptical fins ranging 0°–12° along channel length are numerically examined for inlet Reynolds number (Re) ranging 174–748. The same is compared with the conventional straight fin microchannel. It is found that continuous straight fin when replaced with a series of short length elliptical fins leads to re‐establishment of the thermal boundary layer and results in thinning of boundary layer thickness. By varying the fin angle, fluid is directed from primary channel to secondary channel which finally flows into the primary channel. These secondary flows disrupt the boundary layer and show better fluid mixing in the channel. Among all the orientations considered, elliptical fin oriented at 2° yields better cooling performance ensuing an optimum average Nusselt number enhancement of 116% (7.68–16.64) with a very less pressure penalty (15%). Besides this, the rise in wall temperature is reduced by 25.39% in comparison to straight fin microchannel.
Dazed and confused: Behavioural constraints impose major challenges to fish passage in the neotropics
Authors: Lopes João de Magalhães , Alves Carlos Bernardo Mascarenhas , Peressin Alexandre , Pompeu Paulo Santos
Published: October 2021

The role of fish translocation upstream of dams, for the conservation of migratory species, is controversial. An important but still unaddressed question is whether migratory patterns are affected, after the translocation events, by a hydropower dam. In existing dams, a useful means to test this might be to compare the behaviour of translocated fish with those in undammed river segments in the same region.

The objective of this study was to evaluate the effectiveness of fish translocation in promoting access to spawning areas through a behavioural approach using Prochilodus costatus as a study model in the São Francisco River, south‐east Brazil.

The reservoir acted as a barrier to the dispersal of translocated individuals with only a small fraction of the population able to locate lotic stretches in the tributaries. Individuals translocated to undammed stretches of river upstream of the reservoir exhibited movement behaviour that was markedly different from that of individuals native to this region. Translocated individuals mainly displayed an erratic pattern of movement between upstream and downstream stretches of river with no specific route. In contrast, local individuals made long‐distance upstream spawning migrations and downstream return migrations to feeding sites during specific periods of the year.

The results indicate that translocating individuals upstream of Três Marias dam tends to be ineffective for the conservation of P. costatus in the region. The study showed that the behaviour of translocated individuals, a largely neglected factor for the tropical region, may be an additional barrier to the success of conservation programmes based on fish passage systems. For the population studied, the maintenance of a free‐flowing stretch where fish are able to complete their life cycle is a more viable and effective alternative for conservation.
Practitioners’ perspectives and needs: Developing skills to support unaccompanied asylum‐seeking children (UASCs) in experiencing ‘belonging’ in English educational spaces
Authors: Ward Catherine
Published: October 2021

This article builds on Yuval‐Davis’s (2006, 2007, 2011) theories of belonging, in order to relay how practitioners can support unaccompanied asylum‐seeking children (UASCs) in developing a positive sense of belonging in educational spaces in England. To do so, the article synthesises literature surrounding theories of belonging, UASCs’ educational access in England and practices supporting UASCs’ educational attainment and sense of belonging. Further, the article considers interviews with a social worker, English for speakers of other languages (ESOL) teacher, charity sector staff member, legal expert and government workers in East England, all of whom work with UASCs. Interview analysis seeks to understand how practitioners believe UASCs find a sense of belonging in the educational spaces that they inhabit. After presenting the interview findings, the article builds on scholarly literature related to supporting UASCs’ education by discussing how practitioners, including all staff who interact with UASCs in school, college or residential accommodation spaces, can work to facilitate UASCs’ sense of belonging in educational spaces in England. The article recognises that practitioners can do so through learning to speak with low‐level ESOL students, developing trauma awareness and reflexively approaching their relationships with UASCs. Thus, the article provides policy recommendations to support practitioners in doing so.
Sudden sensorineural hearing loss in a post‐COVID‐19 patient
Authors: Pokharel Santoshi , Tamang Sumita , Pokharel Shankar , Mahaseth Rajeev Kumar
Published: October 2021

A detailed history and diagnostic evaluation for recent or past COVID‐19 infection is vital in patients presenting with Sudden Sensorineural Hearing Loss (SSNHL) since SSNHL could be a sequelae of COVID‐19 and timely diagnosis and intervention could significantly improve hearing and quality of life.
Ventricular voltage‐gated ion channels: Detection, characteristics, mechanisms, and drug safety evaluation
Authors: Chen Lulan , He Yue , Wang Xiangdong , Ge Junbo , Li Hua
Published: October 2021

Cardiac voltage‐gated ion channels (VGICs) play critical roles in mediating cardiac electrophysiological signals, such as action potentials, to maintain normal heart excitability and contraction. Inherited or acquired alterations in the structure, expression, or function of VGICs, as well as VGIC‐related side effects of pharmaceutical drug delivery can result in abnormal cellular electrophysiological processes that induce life‐threatening cardiac arrhythmias or even sudden cardiac death. Hence, to reduce possible heart‐related risks, VGICs must be acknowledged as important targets in drug discovery and safety studies related to cardiac disease. In this review, we first summarize the development and application of electrophysiological techniques that are employed in cardiac VGIC studies alone or in combination with other techniques such as cryoelectron microscopy, optical imaging and optogenetics. Subsequently, we describe the characteristics, structure, mechanisms, and functions of various well‐studied VGICs in ventricular myocytes and analyze their roles in and contributions to both physiological cardiac excitability and inherited cardiac diseases. Finally, we address the implications of the structure and function of ventricular VGICs for drug safety evaluation. In summary, multidisciplinary studies on VGICs help researchers discover potential targets of VGICs and novel VGICs in heart, enrich their knowledge of the properties and functions, determine the operation mechanisms of pathological VGICs, and introduce groundbreaking trends in drug therapy strategies, and drug safety evaluation.
Targeting miR‐126 disrupts maintenance of myelodysplastic syndrome stem and progenitor cells
Authors: Wang Huafeng , Sun Jie , Zhang Bin , Zhao Dandan , Tong Hongyan , Wu Herman , Li Xia , Luo Yingwan , Dong Dan , Yao Yiyi , McDonald Tinisha , Stein Anthony S. , Al Malki Monzr M. , Pichiorri Flavia , Carlesso Nadia , Kuo Ya‐Huei , Marcucci Guido , Li Ling , Jin Jie
Published: October 2021

Background

Myelodysplastic syndrome (MDS) arises from a rare population of aberrant hematopoietic stem and progenitor cells (HSPCs). These cells are relatively quiescent and therefore treatment resistant. Understanding mechanisms underlying their maintenance is critical for effective MDS treatment.

Methods

We evaluated microRNA‐126 (miR‐126) levels in MDS patients’ sample and in a NUP98‐HOXD13 (NHD13) murine MDS model along with their normal controls and defined its role in MDS HSPCs’ maintenance by inhibiting miR‐126 expression in vitro and in vivo. Identification of miR‐126 effectors was conducted using biotinylated miR‐126 pulldown coupled with transcriptome analysis. We also tested the therapeutic activity of our anti‐miR‐126 oligodeoxynucleotide (miRisten) in human MDS xenografts and murine MDS models.

Results

miR‐126 levels were higher in bone marrow mononuclear cells from MDS patients and NHD13 mice relative to their respective normal controls (P < 0.001). Genetic deletion of miR‐126 in NHD13 mice decreased quiescence and self‐renewal capacity of MDS HSPCs, and alleviated MDS symptoms of NHD13 mice. Ex vivo exposure to miRisten increased cell cycling, reduced colony‐forming capacity, and enhanced apoptosis in human MDS HSPCs, but spared normal human HSPCs. In vivo miRisten administration partially reversed pancytopenia in NHD13 mice and blocked the leukemic transformation (combination group vs DAC group, P < 0.0001). Mechanistically, we identified the non‐coding RNA PTTG3P as a novel miR‐126 target. Lower PTTG3P levels were associated with a shorter overall survival in MDS patients.

Conclusions

MiR‐126 plays crucial roles in MDS HSPC maintenance. Therapeutic targeting of miR‐126 is a potentially novel approach in MDS.
Reflecting on a decade in the Dean's office
Authors: Schwebel David C.
Published: October 2021

Next week, I will depart my office in the Dean's suite after 10 years of service as Associate Dean. I've worked with three Deans, about 50 department chairs, and scores and scores of faculty, staff, and students. There have been challenges and stressors, but I've enjoyed the ride.
Using plant traits to understand the contribution of biodiversity effects to annual crop community productivity
Authors: Engbersen Nadine , Stefan Laura , Brooker Rob W. , Schöb Christian
Published: October 2021

Increasing biodiversity generally enhances productivity through selection and complementarity effects not only in natural, but also in agricultural, systems. However, the quest to explain why diverse cropping systems are more productive than monocultures remains a central goal in agricultural science. In a mesocosm experiment, we constructed monocultures, two‐ and four‐species mixtures from eight crop species with or without fertilizer and both in temperate Switzerland and dry, Mediterranean Spain. We measured physical factors and plant traits and related these in structural equation models to selection and complementarity effects to explain seed yield differences between monocultures and mixtures. Increased crop diversity increased seed yield in Switzerland. This positive biodiversity effect was driven to almost the same extent by selection and complementarity effects, which increased with plant height and specific leaf area (SLA), respectively. Also, ecological processes driving seed yield increases from monocultures to mixtures differed from those responsible for seed yield increases through the diversification of mixtures from two to four species. Whereas selection effects were mainly driven by one species, complementarity effects were linked to larger leaf area per unit leaf weight. Seed yield increases due to mixture diversification were driven only by complementarity effects and were not mediated through the measured traits, suggesting that ecological processes beyond those measured in this study were responsible for positive diversity effects on yield beyond two‐species mixtures. By understanding the drivers of positive biodiversity–productivity relationships, we can improve our ability to predict species combinations that enhance ecosystem functioning and can promote sustainable agricultural production.
Can diet composition estimates using stable isotope analysis of feathers predict growth and condition in nestling mountain bluebirds (Sialia currucoides)?
Authors: White Aija F. , Dawson Russell D.
Published: October 2021

Insectivorous birds breeding in seasonal environments provision their dependent young during periods when prey diversity and abundance vary. Consequently, the composition and nutritional value of diets parents feed to their offspring may differ within and among broods, potentially affecting the condition of nestlings. In a population of mountain bluebirds (Sialia currucoides), we used two methods to estimate diet composition for individual nestlings: direct observation of provisioning using video recordings at 5 and 9 days post‐hatch, and stable isotopes of the δ13C and δ15N in nestling feathers and prey followed by analysis with mixing models. We determined the macronutrient content (% fat and lean mass) and estimated the metabolized energy from each type of prey. We evaluated whether different methods of estimating diet composition would produce similar results, and whether the types of prey nestlings ate at one or both ages affected their morphology, growth rates, or blood ketone concentration. We found that bluebirds fed their young 5 main types of prey: beetles, cicadas, grasshoppers, insect larvae, and spiders. Both observational and mixing model estimates of diet composition indicated that larvae are traded off with grasshoppers and that fewer larvae are provided to nestlings as the season progresses. In evaluating how diet influences individual growth and condition, estimates from direct observations had greater explanatory power than those from mixing models, indicating that diets rich in the most energy‐dense prey (greatest fat content; cicadas and larvae) were associated with larger size and higher body condition, and faster rate of mass gain and growth of tarsus. Lower value prey had more limited, specific effects on nestlings, but may still be important dietary components. While isotopic methods produced estimates of diet composition that were generally informative, when applied to explain the growth and condition of nestlings they proved less useful.
Grieving geographies, mourning waters: Life, death, and environmental gendered racialized struggles in Mexico
Authors: Rodríguez Aguilera Meztli Yoalli
Published: October 2021

Grieving geographies are spaces of complex collective loss due to multiple interconnected forms of violence. Engaging with critical race theory, feminist geography and anthropology, and political ecology, this paper explores the intersections of gender, race, and the environment in Mexico. Black and Indigenous women in the Coast of Oaxaca grieve for the lagoons that are dying in front of them due to governmental and neoliberal policies, but also for the loss of members of their communities due to violence. I argue that facing the slow death of their lagoons system, plus everyday forms of violence, Black and Indigenous women organize to defend life, livelihood, and the lagoons in their community. These women have created everyday practices of resistance and alternative economies based on care and solidarity. This article explores environmental racism in Latin America, specifically where mestizaje ideology was imposed, and the affective relationship between human and other‐than‐human beings.
Synthesis and biological evaluation of new 1,4‐benzothiazine derivatives as potential COX‐2 inhibitors
Authors: Meenakshi Maniarasu , Antojenifer Panneerselvam , Karthikeyan Muthusamy , Prahalathan Chidambaram , Srinivasan Kannupal
Published: October 2021

A series of new 2H‐benzo[1,4]thiazine derivatives were synthesized from aroylmethylidene malonates and o‐aminothiophenols by condensation/cyclization methodology in order to evaluate their COX‐2 inhibitory activity. In‐silico studies indicated that among the synthesized compounds, 5i could serve as a potential candidate for the task. So, compound 5i was taken as a model ligand for in vitro studies. The favorable outcome of the studies showed that compound 5i is indeed an excellent inhibitor of COX‐2.
HIV PrEP is more than ART‐lite: Longitudinal study of real‐world PrEP services data identifies missing measures meaningful to HIV prevention programming
Authors: Reed Jason Bailey , Shrestha Prakriti , Were Daniel , Chakare Tafadzwa , Mutegi Jane , Wakhutu Brian , Musau Abednego , Nonyana Nyane Matebello , Christensen Alice , Patel Rupa , Rodrigues Jessica , Eakle Robyn , Curran Kelly , Mohan Diwakar
Published: October 2021

Introduction

Evidence indicates HIV oral pre‐exposure prophylaxis (PrEP) is highly efficacious and effective. Substantial early discontinuation rates are reported by many programs, which may be misconstrued as program failure. However, PrEP use may be non‐continuous and still effective, since HIV risk fluctuates. Real‐world PrEP use phenomena, like restarting and cyclical use, and the temporal characteristics of these use patterns are not well described. The objective of our study was to characterize and identify predictors of use patterns observed in large PrEP scale‐up programs in Africa.

Methods

We analysed demographic and clinical data routinely collected during client visits between 2017 and 2019 in three Jhpiego‐supported programs in Kenya, Lesotho and Tanzania. We characterized duration on/off PrEP and, using ordinal regression, modelled the likelihood of spending additional time off and identified factors associated with increasing cycle number. The Andersen‐Gill model was used to identify predictors of time to PrEP discontinuation. To analyse factors associated with a client's first return following initiation, we used a two‐step Heckman probit.

Results

Among 47,532 clients initiating PrEP, approximately half returned for follow‐up. With each increase in cycle number, time off PrEP between use cycles decreased. The Heckman first‐step model showed an increased probability of returning versus not by older age groups and among key and vulnerable population groups versus the general population; in the second‐step model older age groups and key and vulnerable populations were less likely in Kenya, but more likely in Lesotho, to return on‐time (refill) versus delayed (restarting).

Conclusions

PrEP users frequently cycle on and off PrEP. Early discontinuation and delays in obtaining additional prescriptions were common, with broad predictive variability noted. Time off PrEP decreased with cycle number in all countries, suggesting normalization of use with experience. More nuanced measures of use are needed than exist for HIV treatment if effective use of PrEP is to be meaningfully measured. Providers should be equipped with measures and counselling messages that recognize non‐continuous and cyclical use patterns so that clients are supported to align fluctuating risk and use, and can readily restart PrEP after stopping, in effect empowering them further to make their own prevention choices.
Iron deficiency in pregnancy: Influence on sleep, behavior, and molecular markers of adult male offspring
Authors: Franco Beatriz , Mota Diego Silva , Daubian‐Nosé Paulo , Rodrigues Natália de Almeida , Simino Laís Angélica de Paula , de Fante Thaís , Bezerra Rosangela Maria Neves , Manchado Gobatto Fúlvia de Barros , Manconi Mauro , Torsoni Adriana Souza , Esteves Andrea Maculano
Published: October 2021

Iron restriction during pregnancy can lead to iron deficiency and changes in the dopaminergic system in the adulthood of offspring, and restless legs syndrome (RLS) is closely related to these changes. Objectives: Analyze whether iron restriction during pregnancy would cause changes in the behavior, sleep, and dopaminergic system of the male offspring. In addition, we aimed to assess whether exercise would be able to modulate these variables. The pregnant rats (Wistar) were divided into four groups with different concentrations of iron in the diet: standard (St), supplementation (Su), restriction since weaning (R1), and restriction only during pregnancy (R2). After birth, the offspring were assigned to their respective groups according to the dams diet (St, Su, R1, and R2) and distributed into sedentary (SD) and exercised (EX) (for 8 weeks of training), reaching eight groups of offspring (O): OSt SD, OSt EX, OSu SD, OSu EX, OR1 SD, OR1 EX, OR2 SD, and OR2 EX. Sleep, behavior, and analysis of key genes of dopaminergic system (D2, DAT) were performed after 8 weeks. The results for trained offspring that the mother received supplementation diet were the most expressive, with increased freezing and the OR1 SD group showed an increase in DAT protein content. These changes may have been due to the association between the dams diet during pregnancy and the practice of exercise by the offspring. The different concentrations of iron during pregnancy caused changes in the offspring, however, they were not associated with fetal programming in the context of RLS.
Is it reasonable for the use of Rh‐ee blood? A hospital‐based survey from a southern medical center in Taiwan
Authors: Hsiao Hui‐Hua , Yeh Chi‐Jung , Ting Shuo‐Chun , Chuang Tzer‐Ming , Ke Ya‐Lun , Yeh Tsung‐Jang , Gau Yu‐Chin , Du Jeng‐Shiun , Hsiao Chi‐En , Wang Hui‐Ching , Cho Shih‐Feng , Hsu Chin‐Mu , Liu Yi‐Chang
Published: October 2021

Identification of alloantibodies and achieving a reduction in the rate of red blood cell (RBC) alloimmunization are important issues to prevent transfusion complications. The aim of this study was to identify the antigen and alloantibodies in our patients and to study the association of alloimmunization with previous transfusion. Transfusion records from the blood bank of Kaohsiung Medical University Hospital between 2015 and 2017 were retrospectively enrolled in the study. Antigen and antibody identification was performed using routine blood bank methods. In total, 56,422 transfusion records from 2015 to 2017 were included in the study. Among them, 1858 alloantibody episodes were found in the pre‐transfusion survey, and anti‐Mia, anti‐E, and cold antibodies were the most common alloantibodies, with a prevalence of 3.29% (1858/56,422). Among them, 130 episodes involved newly found alloantibodies with no alloantibodies found in the previous transfusion survey. Tracing back to these newly transfusion‐induced alloantibodies, the antibody was found with a mean of 10.8 ± 7.8 units of packed RBC transfusion, a mean of 66.3 ± 52.8 days, and with a mean of 4.3 ± 2.7 times of transfusion from the first transfusion therapy. An antibody survey revealed that Rh‐ee (62.1%) was the most common phenotype in these newly identified antibodies. In summary, this hospital‐based study revealed that RBC alloantibody rates were present at rates of 3.29%, with anti‐Mia, anti‐E, and cold antibodies being the most common alloantibodies. Among them, anti‐E was the most commonly developed alloantibody. Given that the Rh‐ee group is the most common phenotype in our population, the strategy of using Rh‐ee blood for Rh‐ee recipients is reasonable for transfusion safety.
Sensate total clitoris reconstruction via microneurovascular dorsal foot web space flap with pudendal nerve coaptation
Authors: Oles Norah , Preston Stephanie , Leto Barone Angelo A. , Khan Aadil , Coon Devin
Published: October 2021

Revision surgery after gender‐affirming genitoplasty is becoming more and more common as more patients gain access to surgical treatment. The complexity of genitoplasty and extensive dissection of delicate tissues predisposes patients to necrosis of the flap(s) employed, which can leave patients with complications ranging from poor aesthetics to total lack of genital sensation. The purpose of this report is to detail the revision surgery of a 32‐year‐old transgender woman who underwent vaginoplasty at an outside institution and presented to our clinic for clitoral reconstruction following necrosis and near‐total loss of the neoclitoris. Physical exam showed extensive necrosis, and 3‐Tesla magnetic resonance (MRI) revealed significant scarring of the pudendal nerve branches at the level of the pubic symphysis. Healthy nerve was identified at the level of the right inferior pubic ramus, and total clitoral reconstruction with an innervated first dorsal web space free flap anastamosed to the deep inferior epigastric vessels was performed. Complications included donor site cellulitis with partial loss of the skin graft and formation of hypertrophic scar tissue. This was treated 6 months postoperatively with excision of scar tissue in the webspace and placement of an additional full‐thickness skin graft. At follow‐up, the patient reported tactile and erogenous sensation of the neoclitoris itself and subjective satisfaction with the aesthetic outcome. Our results provide evidence that this flap is a feasible option to create an aesthetic and sensate neoclitoris in the setting of previous neoclitoral necrosis. This case report also describes the novel use of 3‐Tesla MRI in target selection for nerve coaptation.
Social connectedness among parents raising children in low‐income communities: An integrative review
Authors: Plesko Corinne M. , Yu Zhiyuan , Tobin Karin , Gross Deborah
Published: October 2021

Social isolation has been linked to numerous health risks, including depression and mortality. Parents raising children in low‐income and under‐resourced communities are at an increased risk for experiencing social isolation and its negative effects. Social connectedness (SC), one's sense of belongingness and connection to other people, or a community, has been linked to reduced social isolation and improved health outcomes in the general population, yet little is known about the impact SC has on parents with low incomes. This integrative review aims to describe the current state of the science surrounding SC in parents with low incomes, summarize how SC is being defined and measured, evaluate the quality of the science, and identify gaps in the literature to guide future research. Five electronic databases were searched, yielding 15 articles for inclusion. Empirical studies meeting the following criteria were included: population focused on parents who have low incomes or live in low‐income communities and have dependent children, outcomes were parent‐centered, SC was a study variable or a qualitative finding, and publication date was before March 2021. Findings emphasize SC as a promising construct that may be protective in the health and well‐being of parents and children living in low‐income communities. However, a lack of consensus on definitions and measures of SC makes it difficult to build a strong science base for understanding these potential benefits. Future research should focus on understanding the mechanisms by which SC works to benefit parents and their children.
Generalizability and accuracy of IBM MarketScan health risk assessment instrument data for augmentation of commercial claims data
Authors: Albogami Yasser , Wei Yu‐Jung J. , Winterstein Almut G.
Published: October 2021

Purpose

We evaluated the generalizability and accuracy of the IBM® MarketScan® Health Risk Assessment (HRA) data to assess its suitability as supplement to linked claims data.

Methods

We identified adult private insurance enrollees in the IBM® MarketScan® Commercial Claims & Encounters (CC&E) and HRA databases between 2012 and 2017. In the claims data, for each enrollee, we sampled the first calendar year with continuous enrollment indicating full capture of claims data and extracted linked HRA survey data if available. We compared HRA participants and non‐participants considering demographics, prevalences of chronic conditions, and healthcare utilization. Including the subsample with HRA data only, we estimated the negative predictive value (NPV) of obesity and smoking reported in the HRA against diagnosis code in the claims data.

Results

Between 2012 and 2017, 2 693 444 and 31 450 000 of HRA and non‐HRA participants were included in the study, respectively. Chronic diseases were similarly distributed between the two populations, with hypertension and hyperlipidemia representing the highest prevalence difference (1.4%). The two samples showed similar healthcare utilization. The proportion of false‐negatives for obesity and smoking information when relying on the HRA data compared to patients with positive diagnosis based on claims data was low (<1%). Prevalence estimates of both variables were similar to national estimates.

Conclusion

Our findings suggest that the overall HRA population may represent the overall claims population and HRA provides certain data elements with satisfactory accuracy.
SMOG 2 and OpenSMOG: Extending the limits of structure‐based models
Authors: de Oliveira Antonio B. , Contessoto Vinícius G. , Hassan Asem , Byju Sandra , Wang Ailun , Wang Yang , Dodero‐Rojas Esteban , Mohanty Udayan , Noel Jeffrey K. , Onuchic Jose N. , Whitford Paul C.
Published: October 2021

Applying simulations with structure‐based models has proven to be an effective strategy for investigating the factors that control biomolecular dynamics. The common element of these models is that some (or all) of the intra/inter‐molecular interactions are explicitly defined to stabilize an experimentally determined structure. To facilitate the development and application of this broad class of models, we previously released the SMOG 2 software package. This suite allows one to easily customize and distribute structure‐based (i.e., SMOG) models for any type of polymer‐ligand system. The force fields generated by SMOG 2 may then be used to perform simulations in highly optimized MD packages, such as Gromacs, NAMD, LAMMPS, and OpenMM. Here, we describe extensions to the software and demonstrate the capabilities of the most recent version (SMOG v2.4.2). Changes include new tools that aid user‐defined customization of force fields, as well as an interface with the OpenMM simulation libraries (OpenSMOG v1.1.0). The OpenSMOG module allows for arbitrary user‐defined contact potentials and non‐bonded potentials to be employed in SMOG models, without source‐code modifications. To illustrate the utility of these advances, we present applications to systems with millions of atoms, long polymers and explicit ions, as well as models that include non‐structure‐based (e.g., AMBER‐based) energetic terms. Examples include large‐scale rearrangements of the SARS‐CoV‐2 Spike protein, the HIV‐1 capsid with explicit ions, and crystallographic lattices of ribosomes and proteins. In summary, SMOG 2 and OpenSMOG provide robust support for researchers who seek to develop and apply structure‐based models to large and/or intricate biomolecular systems.
Factors and loose Hamilton cycles in sparse pseudo‐random hypergraphs
Authors: Hàn Hiệp , Han Jie , Morris Patrick
Published: October 2021

We investigate the emergence of subgraphs in sparse pseudo‐random k‐uniform hypergraphs, using the following comparatively weak notion of pseudo‐randomness. A k‐uniform hypergraph H on n vertices is called ‐pseudo‐random if for all (not necessarily disjoint) vertex subsets
with we have
urn:x-wiley:rsa:media:rsa21052:rsa21052-math-0004For any linear k‐uniform F, we provide a bound on in terms of and F, such that (under natural divisibility assumptions on n) any k‐uniform ‐pseudo‐random n‐vertex hypergraph H with a mild minimum vertex degree condition contains an F‐factor. The approach also enables us to establish the existence of loose Hamilton cycles in sufficiently pseudo‐random hypergraphs and, along the way, we also derive conditions which guarantee the appearance of any fixed sized subgraph. All results imply corresponding bounds for stronger notions of hypergraph pseudo‐randomness such as jumbledness or large spectral gap. As a consequence, ‐pseudo‐random k‐graphs as above contain: (i) a perfect matching if and (ii) a loose Hamilton cycle if . This extends the works of Lenz–Mubayi, and Lenz–Mubayi–Mycroft who studied the analogous problems in the dense setting.
Ionic Liquid‐Functionalized CQDs as Effective “Signal‐Off” Fluorescence Nanoprobes for Selective and Sensitive Detection of Iron (III) and Chromium (VI)
Authors: Wang Wei , Zhang Jian , Tian Pei , Wang Xiaojian , Qian Wenzhen , Huang Guowei , Liu Xi , Liu Baoyong
Published: October 2021

Ionic liquid‐functionalized carbon quantum dots (ILCQDs) were directly synthesized by one‐pot pyrolysis from citric acid and 1‐aminopropyl‐3‐methyl imidazole bromide. ILCQDs emitting blue fluorescence and exhibiting photoluminescence quantum yield of 5.69 % were characterized by TEM, SAED, SEM, EDS, XRD, FTIR, XPS, UV‐vis, fluorescence, zeta potential, TGA and 1HNMR. They were nanoparticles with high surface positive charges. Meanwhile, ILCQDs exhibited excitation‐dependence, stability and superior water dispersibility. Due to static quenching and internal filtering effects, their fluorescence was effectively quenched by Fe3+ and CrVI. Consequently, they were exactly developed as effective “signal‐off” fluorescent nanoprobes for selective and sensitive detection of Fe3+ and CrVI. ILCQDs‐based fluorescent nanoprobes had wider linear ranges and the limits of detection for Fe3+ cation and CrVI anion reached as low as 11.38 μM and 4.04 μM, respectively. More importantly, ILCQDs were successfully applied to detection of CrVI in practical water samples and recoveries were 91.59 %–101.28 %, suggesting ILCQDs had promising application in environmental analysis.
Fast healing conductive polymer composite based on carbon black and polyurethane containing disulfide bonds
Authors: Mai Van‐Dung , Nguyen Dinh Cung Tien , Vu Van‐Phu , Lee Soo‐Hyoung
Published: October 2021

The electrically conductive healing polymer composites, which have the ability to recover conductivity after damage, are promising candidates as electrodes for electrical devices. In this work, a solvent casting method was used to prepare a healing conductive polymer composite of polyurethane (PU) and carbon black (CB). PU contains dynamic disulfide bonds that can undergo metathesis inducing a fast healing property. The electrical conductivity of the PU/CB composite is recovered by heating at 70°C for 1 min as a result of the synergistic effect of the hydrogen bond and disulfide metathesis. The tensile test shows complete recovery of stress but lower strain after cut and heals at 70°C for 1 h. The fast healing electrical conductivity, excellent mechanical property recovery along with easy preparation offer this PU/CB composite as a prospective candidate for optoelectronic and energy‐related devices.
Dynamical Analysis of Quantum Annealing
Authors: Coolen Anthony C. C. , Nikoletopoulos Theodore , Arai Shunta , Tanaka Kazuyuki
Published: October 2021

Quantum annealing aims to provide a faster method than classical computing for finding the minima of complicated functions, and it has created increasing interest in the relaxation dynamics of quantum spin systems. Moreover, problems in quantum annealing caused by first-order phase transitions can be reduced via appropriate temporal adjustment of control parameters, and in order to do this optimally, it is helpful to predict the evolution of the system at the level of macroscopic observables. Solving the dynamics of quantum ensembles is nontrivial, requiring modeling of both the quantum spin system and its interaction with the environment with which it exchanges energy. An alternative approach to the dynamics of quantum spin systems was proposed about a decade ago. It involves creating stochastic proxy dynamics via the Suzuki-Trotter mapping of the quantum ensemble to a classical one (the quantum Monte Carlo method), and deriving from this new dynamics closed macroscopic equations for macroscopic observables using the dynamical replica method. In this chapter, we give an introduction to this approach, focusing on the ideas and assumptions behind the derivations, and on its potential and limitations.
Optimization of Evacuation and Walking-Home Routes from Osaka City After a Nankai Megathrust Earthquake Using Road Network Big Data
Authors: Takizawa Atsushi , Kawagishi Yutaka
Published: October 2021

When a disaster such as a large earthquake occurs, the resulting breakdown in public transportation leaves urban areas with many people who are struggling to return home. With people from various surrounding areas gathered in the city, unusually heavy congestion may occur on the roads when the commuters start to return home all at once on foot. In this chapter, it is assumed that a large earthquake caused by the Nankai Trough occurs at 2 p.m. on a weekday in Osaka City, where there are many commuters. We then assume a scenario in which evacuation from a resulting tsunami is carried out in the flooded area and people return home on foot in the other areas. At this time, evacuation and returning-home routes with the shortest possible travel times are obtained by solving the evacuation planning problem. However, the road network big data for Osaka City make such optimization difficult. Therefore, we propose methods for simplifying the large network while keeping those properties necessary for solving the optimization problem and then recovering the network. The obtained routes are then verified by large-scale pedestrian simulation, and the effect of the optimization is verified.
Oracle-Based Primal-Dual Algorithms for Packing and Covering Semidefinite Programs
Authors: Elbassioni Khaled , Makino Kazuhisa
Published: October 2021

Packing and covering semidefinite programs (SDPs) appear in natural relaxations of many combinatorial optimization problems as well as a number of other applications. Recently, several techniques have been proposed that utilize the particular structure of this class of problems in order to obtain more efficient algorithms than those offered by general SDP solvers. For certain applications, it may be necessary to deal with SDPs with a very large number of (e.g., exponentially or even infinitely many) constraints. In this chapter, we give an overview of some of the techniques that can be used to solve this class of problems, focusing on multiplicative weight updates and logarithmic-potential methods.
Gaudin models and multipoint conformal blocks: general theory
Authors: Burić Ilija , Lacroix Sylvain , Mann Jeremy A. , Quintavalle Lorenzo , Schomerus Volker
Published: October 2021

Abstract

The construction of conformal blocks for the analysis of multipoint correlation functions with N > 4 local field insertions is an important open problem in higher dimensional conformal field theory. This is the first in a series of papers in which we address this challenge, following and extending our short announcement in [1]. According to Dolan and Osborn, conformal blocks can be determined from the set of differential eigenvalue equations that they satisfy. We construct a complete set of commuting differential operators that characterize multipoint conformal blocks for any number N of points in any dimension and for any choice of OPE channel through the relation with Gaudin integrable models we uncovered in [1]. For 5-point conformal blocks, there exist five such operators which are worked out smoothly in the dimension d.
Generation flow in field theory and strings
Authors: Ramos-Sánchez Saúl , Ratz Michael , Shirman Yuri , Shukla Shreya , Waterbury Michael
Published: October 2021

Abstract

Nontrivial strong dynamics often leads to the appearance of chiral composites. In phenomenological applications, these can either play the role of Standard Model particles or lift chiral exotics by partnering with them in mass terms. As a consequence, the RG flow may change the effective number of chiral generations, a phenomenon we call generation flow. We provide explicit constructions of globally consistent string models exhibiting generation flow. Since such constructions were misclassified in the traditional model searches, our results imply that more care than usually appreciated has to be taken when scanning string compactifications for realistic models.
On differential operators and unifying relations for 1-loop Feynman integrands
Authors: Zhou Kang
Published: October 2021

Abstract

We generalize the unifying relations for tree amplitudes to the 1-loop Feynman integrands. By employing the 1-loop CHY formula, we construct differential operators which transmute the 1-loop gravitational Feynman integrand to Feynman integrands for a wide range of theories, including Einstein-Yang-Mills theory, Einstein-Maxwell theory, pure Yang-Mills theory, Yang-Mills-scalar theory, Born-Infeld theory, Dirac-Born-Infeld theory, bi-adjoint scalar theory, non-linear sigma model, as well as special Galileon theory. The unified web at 1-loop level is established. Under the well known unitarity cut, the 1-loop level operators will factorize into two tree level operators. Such factorization is also discussed.
Developmentally regulated GTPases: structure, function and roles in disease
Authors: Westrip Christian A. E. , Zhuang Qinqin , Hall Charlotte , Eaton Charlotte D. , Coleman Mathew L.
Published: October 2021

GTPases are a large superfamily of evolutionarily conserved proteins involved in a variety of fundamental cellular processes. The developmentally regulated GTP-binding protein (DRG) subfamily of GTPases consists of two highly conserved paralogs,DRG1andDRG2, both of which have been implicated in the regulation of cell proliferation, translation and microtubules. Furthermore, DRG1 and 2 proteins both have a conserved binding partner, DRG family regulatory protein 1 and 2 (DFRP1 and DFRP2), respectively, that prevents them from being degraded. Similar to DRGs, the DFRP proteins have also been studied in the context of cell growth control and translation. Despite these proteins having been implicated in several fundamental cellular processes they remain relatively poorly characterized, however. In this review, we provide an overview of the structural biology and biochemistry of DRG GTPases and discuss current understanding of DRGs and DFRPs in normal physiology, as well as their emerging roles in diseases such as cancer.
On the Exponential Integrability of Conjugate Functions
Authors: Gissy H. , Miihkinen S. , Virtanen J. A.
Published: October 2021

We relate the exponential integrability of the conjugate function$${\tilde{f}}$$f~to the size of the gap in the essential range off. Our main result complements a related theorem of Zygmund.
Prehospital FAST reduces time to admission and operative treatment: a prospective, randomized, multicenter trial
Authors: Lucas Benjamin , Hempel Dorothea , Otto Ronny , Brenner Franziska , Stier Mario , Marzi Ingo , Breitkreutz Raoul , Walcher Felix
Published: October 2021

Background

The focused assessment with sonography in trauma (FAST) exam is an established trauma care diagnostic procedure. Ultrasound performed during prehospital care can improve early treatment and management of the patients. In this prospective randomized clinical trial, we wanted to assess whether a pre-hospital FAST (p-FAST) influences pre-hospital strategy and the time to operative treatment.

Methods

We studied 296 trauma victims in a prehospital setting. Inclusion criteria were potential abdominal injuries identified either by clinical examination or suggested by the mechanism of injury. Physician-staffed helicopters and emergency ambulances were equipped with portable ultrasound devices. According to a scheme related to calendar weeks, a clinical exam only (CEX) or a clinical exam together with a p-FAST (CEX-p-FAST) was conducted. Outcome variables were prehospital diagnosis and strategy, the time to admission to the trauma room and to operation theater. The study was approved by the university ethical committee (REB#: 46/06).

Results

CEX-p-FAST showed a high sensitivity (94.7%) and specificity (97.6%) in detection of free fluid compared to CEX-only (80.0%, 84.4%). The median time to admission was reduced significantly by 13 min and to operative treatment by 15 min after CEX-p-FAST. We observed a cross-over rate of 30.8% of p-FAST (n = 36) to CEX-p-FAST during the CEX-only weeks.

Conclusion

According to the experience of the principal investigators, CEX-p-FAST was superior to CEX-only. Despite the time needed for p-FAST, the relevant admission time was significantly shorter. Thus, p-FAST is recommended in addition to CEX if possible for decision-making in prehospital trauma care.

Trial registration

German Clinical Trials Register #DRKS00022117—Registered 10 July 2020—Retrospectively registered,https://www.drks.de/drks_web/navigate.do?navigationId=trial.HTML&TRIAL_ID=DRKS00022117.
Strength of interference screw fixation of meniscus prosthesis matches native meniscus attachments
Authors: Bartolo M. K. , Provaggi E. , Athwal K. K. , Newman S. , Accardi M. A. , Dini D. , Williams A. , Amis A. A.
Published: October 2021

Purpose

Meniscal surgery is one of the most common orthopaedic surgical interventions. Total meniscus replacements have been proposed as a solution for patients with irreparable meniscal injuries. Reliable fixation is crucial for the success and functionality of such implants. The aim of this study was to characterise an interference screw fixation system developed for a novel fibre-matrix-reinforced synthetic total meniscus replacement in an ovine cadaveric model.

Methods

Textile straps were tested in tension to failure (n = 15) and in cyclic tension (70–220 N) for 1000 cycles (n = 5). The textile strap-interference screw fixation system was tested in 4.5 mm-diameter single anterior and double posterior tunnels in North of England Mule ovine tibias aged > 2 years using titanium alloy (Ti6Al4Va) and polyether-ether-ketone (PEEK) screws (n ≥ 5). Straps were preconditioned, dynamically loaded for 1000 cycles in tension (70–220 N), the fixation slippage under cyclic loading was measured, and then pulled to failure.

Results

Strap stiffness was at least 12 times that recorded for human meniscal roots. Strap creep strain at the maximum load (220 N) was 0.005 following 1000 cycles. For all tunnels, pull-out failure resulted from textile strap slippage or bone fracture rather than strap rupture, which demonstrated that the textile strap was comparatively stronger than the interference screw fixation system. Pull-out load (anterior 544 ± 119 N; posterior 889 ± 157 N) was comparable to human meniscal root strength. Fixation slippage was within the acceptable range for anterior cruciate ligament graft reconstruction (anterior 1.9 ± 0.7 mm; posterior 1.9 ± 0.5 mm).

Conclusion

These findings show that the textile attachment-interference screw fixation system provides reliable fixation for a novel ovine meniscus implant, supporting progression to in vivo testing. This research provides a baseline for future development of novel human meniscus replacements, in relation to attachment design and fixation methods. The data suggest that surgical techniques familiar from ligament reconstruction may be used for the fixation of clinical meniscal prostheses.
Optimizing voting order on sequential juries: a median voter theorem and beyond
Authors: Alpern Steve , Chen Bo
Published: October 2021

We consider an odd-sized “jury”, which votes sequentially between two equiprobable states of Nature (say A and B, or Innocent and Guilty), with the majority opinion determining the verdict. Jurors have private information in the form of a signal in $$[-1,+1]$$

[
-
1
,
+
1
]

, with higher signals indicating A more likely. Each juror has an ability in [0, 1], which is proportional to the probability of A given a positive signal, an analog of Condorcet’s p for binary signals. We assume that jurors vote honestly for the alternative they view more likely, given their signal and prior voting, because they are experts who want to enhance their reputation (after their vote and actual state of Nature is revealed). For a fixed set of jury abilities, the reliability of the verdict depends on the voting order. For a jury of size three, the optimal ordering is always as follows: middle ability first, then highest ability, then lowest. For sufficiently heterogeneous juries, sequential voting is more reliable than simultaneous voting and is in fact optimal (allowing for non-honest voting). When average ability is fixed, verdict reliability is increasing in heterogeneity. For medium-sized juries, we find through simulation that the median ability juror should still vote first and the remaining ones should have increasing and then decreasing abilities.