bluuebunny/crossref_metadata_2025_split huggingface dataset:
A formula and numerical study on Ewald 1D summation
Authors: Pan Cong 
Published: December 2022

AbstractEwald summation is famous for its successful applications in molecular simulations for systems under 2 dimensional periodic boundary condition (2D PBC, e.g., planar interfaces) and systems under 3D PBC (e.g., bulk). However, the extension to systems under 1D PBC (like porous structures and tubes) is largely hindered by the special functions in the formula. In this work, a simple approximation of Ewald 1D sum is introduced with its error rigorously controlled. To investigate the impacts on the efficiency and accuracy by different parts, a pairwise potential is calculated for a series of screening parameters () and radial distances () between two point charges. A mapping between the sum of trigonometric functions in Ewald 1D method and the sum of specific vectors further reveals the different converging speeds of different Fourier parts. When choosing Å−1, it is appropriate to ignore the insignificant parts in the sum to accelerate the method.
LncRNA LINC00534 regulates cell proliferation and migration via the miR‐494‐3p/PTEN axis in HTR‐8/SVneo cells
Authors: Song Xuejing , Zhang Xinxin , Xia Qing , Li Chunyan , Zhang Yanrong , Huang Yu , Meng Li , Wang Chunhua , Li Jingyun , Long Wei 
Published: December 2022

AbstractBackgroundLncRNA LINC00534 has been found to be differentially expressed in placental tissue samples of preeclampsia (PE), but the exact mechanism is still unclear.MethodsIn vitro assays were carried out in HTR‐8/SVneo cells using various methods, including cell counting kit‐8 (CCK‐8), transwells, flow cytometry, and Western blotting (WB) and quantitative polymerase chain reaction. RNA pull‐down and bioinformatics analysis were applied to examine other potential underlying mechanisms involved.ResultsWe found that there was a high expression of LINC00534 in the placental tissues of patients with PE. LINC00534 overexpression (OE) significantly inhibited cell proliferation and migration as well as accelerated cell apoptosis in HTR8/SVneo cells. The knockdown of LINC00534 produced an opposite trend. Mechanistically, LINC00534 promoted the expressions of PTEN (Phosphatase and tensin homolog) through decreasing miR‐494‐3p. Further rescue studies showed that LINC00534 played a role by targeting mir‐494‐3p, which controlled the growth and migration of HTR‐8/SVneo trophoblast cells via regulating PTEN/PI3K/AKT (Phosphatidylinositol3‐kinase/protein kinase B). Moreover, lncRNA pull‐down assay identified 198 potential bound proteins for LINC00534. Those proteins were mostly involved in RNA processing and modification, posttranslational modification, protein turnover, and chaperones.ConclusionOverall, by suppressing HTR8/SVneo cell growth and migration via the miR‐494‐3p/PTEN axis and other mechanisms, LINC00534 offers new insight into PE pathogenesis.
Maternal ApoE genotype and risk of recurrent pregnancy loss: An updated systematic review and meta‐analysis
Authors: Cargnin Sarah , Agnusdei Francesca , Shin Jae Il , Terrazzino Salvatore 
Published: December 2022

AbstractBackgroundIn order to clarify the role of the maternal apolipoprotein E (ApoE) genotype and the risk of recurrent pregnancy loss (RPL), we herein performed an updated systematic review and meta‐analysis to reevaluate the evidence on this association.MethodsA comprehensive literature search was performed on PubMed, Web of Knowledge and the Cochrane library up to September 2022. Methodological study quality was assessed using the Newcastle–Ottawa Scale and the credibility of significant pooled odds ratios (ORs) was estimated by the false positive report probability and the Bayesian false discovery probability.ResultsTwelve studies published from 2009 to 2022 fulfilled the inclusion criteria. In the overall analysis, the ε4 allele was found to confer an increased risk of RPL compared to the ε3 allele (OR 1.60, 95% CI 1.00–2.55, p = 0.049) and women carrying the ApoE ε4 allele displayed a higher risk of RPL compared with those carrying the ε2 and ε3 alleles (OR 1.75, 95% CI 1.06–2.87, p = 0.028). Subgroup analysis based on subjects’ ethnicity revealed that these associations were restricted to the Asian population (ε4 allele vs. ε3 allele, OR 5.93, 95% CI 1.79–19.61, p = 0.004; ε4 allele carriers vs. carriers of ε2 and ε3 alleles, OR 8.42, 95% CI 1.47–48.12, p = 0.017). None of the associations detected were found to be noteworthy under false positive report probability or Bayesian false discovery probability at a prior probability of 0.001.ConclusionsThis updated meta‐analysis highlights an association between maternal ApoE genotype and RPL risk in Asians, but not in Caucasians. Further case–control studies are warranted in women of Asian ancestry to exclude the possibility of false‐positive findings.
What can we do about patients presenting with myeloma and severe renal failure? Observations from the UK MERIT plasma exchange trial
Authors: Behrens Judith , Gaskin Gill , Iggo Neil , Barratt Jonathan , Tighe Jane , Soutar Richard , Cook Gordon , Drake Mary , Morris Curly , Drayson Mark 
Published: December 2022

AbstractMyeloma patients presenting with renal failure continue to have a poor prognosis despite significant advances in anti‐myeloma therapy. MERIT was a randomised clinical trial (RCT), set up to evaluate if mechanical reduction of elevated free light chain levels (FLC) would result in clinical benefit. Completion of the planned seven plasma exchanges (PEs) in the first 14 days failed to show, for the exchange group, a greater reduction in FLC or any improvement in dialysis independence at 100 days or subsequently. To improve prognosis for these patients requires earlier diagnosis and prompt anti‐myeloma therapy with effectiveness guided by frequent FLC monitoring.
The macroeconomic implications of disease pandemics in developing countries: An application of Covid‐19 in Uganda
Authors: Kabajulizi Judith 
Published: December 2022

AbstractThis study examines the economy‐wide implications of infectious diseases, taking the case of the Covid‐19 pandemic in Uganda. Covid‐19 containment measures generated social and economic consequences. We employ a recursive dynamic computable general equilibrium model to evaluate the implications on the economy. We design scenarios to mimic the containment policies via labour supply, labour productivity, government healthcare spending and remittance inflows. Results indicate that growth in sector output declines when compared to the no‐Covid‐19 baseline. However, export growth rates are predicted to be higher. Increased government healthcare spending induces expansion in the healthcare output, but the sectors that produce the intermediate inputs for healthcare production do not grow in tandem. Household welfare declines, and the loss is largest among the top quintile households in both rural and urban areas. Policymakers should revisit Uganda's industrial policy towards domestic production of intermediate inputs to critical domestic sectors such as healthcare. Also, accelerate rural infrastructure development particularly the road network, to facilitate an integrated rural economy induced by the shift in labour and enterprise towards rural areas.
FROM THE VOLLEYBALL COURT TO THE BOARDROOM: LEADERSHIP LESSONS FOR BUILDING A HIGH‐PERFORMANCE TEAM
Authors: Murray Sean 
Published: December 2022

AbstractLeadership lessons learned are presented from the U.S. men’s volleyball team of the early 1980s. The team’s coach was preparing the players for the Los Angeles Olympics, and things were not going well. He and his collaborators took steps to move the team to eventual greatness, which are presented in detail. These include working with two pioneering sports psychologists, including the author’s father. The coaches and psychologists “met to discuss how to improve the team’s resilience and get the players to believe and trust in one another.” They began working with a then relatively unknown, but now well‐known organization, Outward Bound. This led them to “design a three‐week course, snowshoeing and hiking over 100 miles, carrying 70‐pound packs, traversing over 11,000 feet in the Abajo mountains, and navigating the labyrinthine Canyonlands National Park.” This training for physical and mental toughness, endurance and resilience was key to eventual success. The author writes: “The team had gone from perennial underachiever to becoming the best in the world at what they did. And the core players from this team went on to win the World Cup, the World Championships, and a second consecutive gold medal at the 1988 Olympics, proving that the performance in Los Angeles wasn’t a fluke.”
HOW DEMOCRATIZATION IS REDEFINING YOUR ORGANIZATION, CAREER, AND LIFE
Authors: Lytle Ben 
Published: December 2022

AbstractThe author takes a close look at forces shaping the future for leaders in all sectors. He describes the research he has conducted for a three‐part Potentialist book series, to be published between 2022 and 2024. He describes the term “potentialism,” as saying that it “became a practice of looking at life through a lens of opportunity in my personal life and the organizations and people I led. It involves gaining the broadest possible perspective by looking back at history and forward to the future and then applying the improved perspective to make better decisions.” In particular he looks at democratization as it applies to a number of people and fields: organizations, institutions, and individuals/consumers. They are affected in various ways, including in his words: Adaptive Response Differences, Rapid Adoption by Individuals and Consumers, Disruption, and Deinstitutionalization. He summarizes changes on the horizon for areas, which in his words, are information and knowledge, creative content, consumer goods, educational institutions, and news media. Also in his words, the characteristics of democratization will play out in the following ways: consumer first; Informed, Integrative choice, Customization/Personalization, Direct and Instant, Collaborative, and Maturational. “A leader’s visionary role has never been more urgent or essential,” he concludes.
Infection Microenvironment‐Sensitive Photothermal Nanotherapeutic Platform to Inhibit Methicillin‐Resistant Staphylococcus aureus Infection
Authors: Zhao Yu , Yang Jiaying , Hao Danli , Xie Ran , Jia Lingyu , Yang Miyi , Ma Hai , Wang Pengqian , Yang Weipeng , Sui Feng , Zhao Haiyu , Chen Yanjun , Zhao Qinghe 
Published: December 2022

AbstractMethicillin‐resistant Staphylococcus aureus (MRSA) can induce multiple inflammations. The biofilm formed by MRSA is resistant to a variety of antibiotics and is extremely difficult to cure, which seriously threatens human health. Herein, a nanoparticle encapsulating berberine with polypyrrole core and pH‐sensitive shell to provide chemo‐photothermal dual therapy for MRSA infection is reported. By integrating photothermal agent polypyrrole, berberine, acid‐degradable crosslinker, and acid‐induced charge reversal polymer, the nanoparticle exhibited highly efficient MRSA infection treatment. In normal uninfected areas and bloodstream, nanoparticles showed negatively charged, demonstrating high biocompatibility and excellent hemocompatibility. However, once arriving at the MRSA infection site, the nanoparticle can penetrate and accumulate in the biofilm within 2 h. Simultaneously, berberine can be released into biofilm rapidly. Under the combined effect of photothermal response and berberine inhibition, 88.7% of the biofilm is removed at 1000 µg mL−1. Moreover, the nanoparticles have an excellent inhibitory effect on biofilm formation, the biofilm inhibition capacity can reach up to 90.3%. Taken together, this pH‐tunable nanoparticle can be employed as a new generation treatment strategy to fight against the fast‐growing MRSA infection.
Chalcogenide‐Doped Anthracenes as Organophotocatalysts for Metal‐Free Atom Transfer Radical Polymerization
Authors: Wang Guangrong , Shao Hui , Ma Jun‐An , Liao Saihu 
Published: December 2022

AbstractOrganocatalytic atom transfer radical polymerization (O‐ATRP) is emerging as a powerful tool for the synthesis of well‐defined, metal‐free polymers, with additional spatiotemporal control by light. Herein, based on the design logic of heteroatom‐doping of polycyclic arenes for photocatalyst development, a series of chalcogenide atom (e.g., O, S, Se, Te)‐doped anthracenes as potential photocatalysts for O‐ATRP is explored. It is found that these heteroatoms have a significant effect on the photophysical and photoredox properties, leading to different performance in the O‐ATRP of methyl methacrylate (MMA). Upon further optimization, the selenium analogues of N‐aryl phenothiazines are successfully identified as effective photocatalysts for O‐ATRP, which can promote a controlled radical polymerization of MMA.
Dosimetric impact of a robust optimization approach to mitigate effects from rotational uncertainty in prostate intensity‐modulated brachytherapy
Authors: Morén Björn , Antaki Majd , Famulari Gabriel , Morcos Marc , Larsson Torbjörn , Enger Shirin A. , Tedgren Åsa Carlsson 
Published: December 2022

AbstractBackgroundIntensity‐modulated brachytherapy (IMBT) is an emerging technology for cancer treatment, in which radiation sources are shielded to shape the dose distribution. The rotatable shields provide an additional degree of freedom, but also introduce an additional, directional, type of uncertainty, compared to conventional high‐dose‐rate brachytherapy (HDR BT).PurposeWe propose and evaluate a robust optimization approach to mitigate the effects of rotational uncertainty in the shields with respect to planning criteria.MethodsA previously suggested prototype for platinum‐shielded prostate 169Yb‐based dynamic IMBT is considered. We study a retrospective patient data set (anatomical contours and catheter placement) from two clinics, consisting of six patients that had previously undergone conventional 192Ir HDR BT treatment. The Monte Carlo‐based treatment planning software RapidBrachyMCTPS is used for dose calculations. In our computational experiments, we investigate systematic rotational shield errors of ±10° and ±20°, and the same systematic error is applied to all dwell positions in each scenario. This gives us three scenarios, one nominal and two with errors. The robust optimization approach finds a compromise between the average and worst‐case scenario outcomes.ResultsWe compare dose plans obtained from standard models and their robust counterparts. With dwell times obtained from a linear penalty model (LPM), for 10° errors, the dose to urethra () and rectum ( and ) increase with up to 5% and 7%, respectively, in the worst‐case scenario, while with the robust counterpart, the corresponding increases were 3% and 3%. For all patients and all evaluated criteria, the worst‐case scenario outcome with the robust approach had lower deviation compared to the standard model, without compromising target coverage. We also evaluated shield errors up to 20° and while the deviations increased to a large extent with the standard models, the robust models were capable of handling even such large errors.ConclusionsWe conclude that robust optimization can be used to mitigate the effects from rotational uncertainty and to ensure the treatment plan quality of IMBT.
Fracture risk and impact in boys with Duchenne muscular dystrophy: A retrospective cohort study
Authors: Liaw Joshua , Billich Natassja , Carroll Kate , Adams Justine , Ryan Monique M. , Yiu Eppie M. , Zacharin Margaret , Simm Peter , Davidson Zoe E. 
Published: December 2022

AbstractIntroduction/AimsBoys with Duchenne muscular dystrophy (DMD) are at increased risk of fracture. This study investigated the incidence of fractures, factors contributing to risk of first fracture with emphasis on body mass index (BMI), and the impact of fractures on functional capacity in an Australian cohort of boys with DMD.MethodsA retrospective cohort study included boys with DMD who attended a pediatric neuromuscular clinic from 2011 to 2018. Information regarding fractures, anthropometry measurements, body composition and functional assessment was collected. Factors associated with first fracture risk were analyzed with Cox‐proportional hazards. Longitudinal analysis of function post‐fracture was also conducted.ResultsThis study included 155 boys with DMD. At least one fracture occurred in 71 (45%) boys; overall incidence of fractures was 399‐per‐10,000 persons‐years. The first fracture was vertebral in 55%; 41% had non‐vertebral fractures and 4% had both. Vertebral fractures occurred in significantly older (12.28 vs 9.28 y) boys with longer exposure to glucocorticoids (5.45 vs 2.50 y) compared to non‐vertebral fractures. Boys with a history of fracture(s) had a steeper rate of functional decline (measured by Northstar Ambulatory Assessment score) than those with no recorded fractures.DiscussionA high fracture burden was observed in a large Australian cohort of boys with DMD. Further investigation is required to understand preventative strategies and modifiable risk factors to reduce the incidence of fractures in DMD. The impact on fractures on ambulatory capacity should be closely monitored.
Dynamics of adipose tissue macrophage populations after gastric bypass surgery
Authors: Palomäki Ville A. , Lehenkari Petri , Meriläinen Sanna , Karttunen Tuomo J. , Koivukangas Vesa 
Published: December 2022

AbstractObjectiveThis case–control study aimed to analyze the dynamics of macrophage infiltration in subcutaneous adipose tissue following bariatric surgery or conservative treatment of obesity and to clarify whether these features predict the weight loss outcome after the surgery.MethodsSubcutaneous tissue samples taken before and 12 months after laparoscopic Roux‐en‐Y gastric bypass surgery (n = 39) or conservative (n = 43) treatment for obesity were analyzed. Fat cell size was determined, and with CD68 immunohistochemistry, crown‐like structures (CLS) were counted and single macrophages were quantitated.ResultsA major decline in CLS density from 4.1 (SD 3.5) to 1.1 (SD 0.8) per 1000 fat cells (p < 0.000) was found, regardless of the degree of weight loss after the surgery. Surgery had no effect on the fraction of infiltrating single‐cell macrophages in subcutaneous adipose tissue. The abundance of these macrophage populations before the intervention did not predict the degree of postsurgery weight loss or suboptimal response to the surgery.ConclusionsThe effect of gastric bypass on adipose tissue inflammatory status associates closely with CLS density even in subjects with suboptimal weight loss. The study suggests that factors related to bypass surgery other than weight loss modify the inflammatory response in adipose tissue.
Tirzepatide for the treatment of obesity: Rationale and design of the SURMOUNT clinical development program
Authors: le Roux Carel W. , Zhang Shuyu , Aronne Louis J. , Kushner Robert F. , Chao Ariana M. , Machineni Sriram , Dunn Julia , Chigutsa Farai B. , Ahmad Nadia N. , Bunck Mathijs C. 
Published: December 2022

AbstractObjectiveObesity is a growing global concern compounded by limited availability of effective treatment options. The SURMOUNT development program aims to evaluate the efficacy and safety of tirzepatide as an adjunct to lifestyle intervention compared with placebo on chronic weight management in adults with BMI ≥ 27 kg/m2 with or without type 2 diabetes.MethodsThe SURMOUNT program includes four global phase 3 trials NCT04184622 (SURMOUNT‐1), NCT04657003 (SURMOUNT‐2), NCT04657016 (SURMOUNT‐3), and NCT04660643 (SURMOUNT‐4). Participants are randomized to once‐weekly subcutaneous tirzepatide versus placebo in a double‐blind manner. The primary end point in all trials is the percentage change in body weight from randomization to end of treatment. Results for the primary end point for SURMOUNT‐1 were published recently and results for the other trials are expected in 2023.ResultsAcross trials, participants have a mean age of 44.9 to 54.2 years, are mostly female (50.7% to 69.7%), and have a mean BMI of 36.1 to 38.9.ConclusionsThe extensive assessment of once‐weekly tirzepatide in the global SURMOUNT program will detail the clinical effects of this first‐in‐class glucose‐dependent insulinotropic polypeptide and glucagon‐like peptide‐1 receptor agonist in chronic weight management.
Precursor‐Directed Synthesis of Apoptosis‐Initiating N‐Hydroxyalkyl Phenylbenzoisoquinolindione Alkaloids
Authors: Chen Yu , Dahse Hans‐Martin , Paetz Christian , Schneider Bernd 
Published: December 2022

AbstractA precursor‐directed approach to access N‐hydroxyalkyl phenylbenzoisoquinolindiones (PBIQs) has been developed. Incubation of plant material of Xiphidium caeruleum with hydroxylamines of various chain lengths (C2, C4, C6, C8, C10 and C12) resulted in 11 new 5‐hydroxy‐ and 5‐methoxy PBIQs with different N‐hydroxyalkyl side chain lengths. The antiproliferative effect and the cytotoxicity against HUVEC, K‐562, and HeLa cell lines of 26 previously reported PBIQs and the 11 newly synthesized N‐hydroxyalkyl PBIQs was determined for the first time. The results revealed that introducing long‐chain N‐aliphatic amine moieties improved the antiproliferative effect and cytotoxicity of PBIQs when compared to derivatives with N‐amino acids as side chains.
Surface modification of zirconia by various modifiers to investigate its reinforcing efficiency toward nitrile rubber
Authors: Ambilkar Shubham C. , Das Chayan 
Published: December 2022

AbstractUniform dispersion of metal oxide‐like zirconia in elastomeric matrix is an essential requisite to deliver proper reinforcement. However, inadequate compatibility between the hydrophobic elastomer and the hydrophilic zirconia surface makes this a difficult task. In this work, three different surface modifiers, namely, sodium dodecyl sulfate (SDS: a surfactant), 3‐(trimethoxy silyl) propyl methacrylates (MPS: an organosilane), and tris (hydroxymethyl) aminomethane (Tris: an amine buffer) are employed to modify the surface of sol–gel derived in‐situ generated zirconia. Effect of surface modification of zirconia by these different kinds of surface modifiers on zirconia‐filled nitrile rubber (NBR) composite has been critically investigated in terms of thermal, morphological, mechanical, swelling, rheological, and dielectric properties. Temperature of maximum degradation (Tmax) of the NBR gum (439 °C) is improved upon incorporation of all type of modified zirconia while that is maximum for Tris‐modified zirconia‐filled composite (458 °C). Similar trend is observed in stress–strain study where Tensile strength is enhanced up to six times for the filled composites relative to NBR gum (1.03 MPa) and the highest value is shown by Tris‐modified zirconia‐filled composite (6.35). This study reveals that Tris could be a potential surface modifier for metal oxides like zirconia, as an alternate to organosilane, to reinforce the elastomer matrices.