bluuebunny/crossref_metadata_2025_split huggingface dataset:
Modeling Heterogeneity in UO2 Nanoparticles Using X‐ray Absorption Spectroscopy
Authors: Bang Shinhyo , Russo Dominic R. , Knapp Ashley D. , Straub Mark D. , Smith Kurt F. , Booth Corwin H. , Minasian Stefan G. , Moreau Liane M. 
Published: October 2022

AbstractEXAFS provides the capability to interrogate nanoparticle (NP) structure in atomistic detail without relying on long‐range crystallinity. There is a limitation in that EXAFS provides averaged structural information, making it difficult to separate a small amount of heterogeneous structure from bulk. In this work, models were developed to extract surface‐specific information from conventional EXAFS measurements collected on UO2 NPs of varying size. Specifically, the surface terminating species of UO2 NPs was determined from comparison of coordination numbers with geometric models while the origin of static disorder was interrogated from user‐defined simulations. Results show that the degree of oxygenation on the NP surface does not significantly deviate from bulk surface and that static disorder is highly enhanced in NP surface layers but cannot be attributed to surface relaxation effects alone. The approach described herein has the potential to be adapted to a range of inorganic NP systems to interrogate surface structure.
Computational Study of Very High Spin Actinyl Peroxide Matryoshka Nanoclusters
Authors: Greaves Nicholas , Kaltsoyannis Nikolas 
Published: October 2022

AbstractGeneralised gradient approximation and hybrid density functional theory is used to study the geometries, electronic structures and spin state energetics of a series of high symmetry multi‐layer “Matryoshka” actinyl peroxide manganese nanoclusters “E@Mn12@An20n+” (An=U, Np, Pu; E=S, Se, Te, n=2; E=Br, n=3; E=Xe, n=4). These systems are all highly open shell, with up to 100 unpaired electrons in the case of the highest spin state plutonyl complexes. Very strong linear correlations are found in all cases between the number of unpaired electrons and the energies of the complexes, with the highest spin states being much the most stable. We confirm a key conclusion from our previous work in this area (Chemistry, A European Journal 24 (2018) 347) i. e. that the highest spin states of the chalcogen‐centred systems are the ground states only when the chalcogen is present; removal of the central group 16 element causes lower spin states to become the most stable. The compositions of the molecular orbitals associated with the changing spin states are studied in detail, and the relative energies of the highest and next highest spin states of the E‐free uranyl and plutonyl clusters rationalized on the basis of the characters of the orbitals whose occupation changes between the different spin states.
Boosting the Donor Effect of Side‐On W(II) Alkyne Complex Based Diphosphines
Authors: Thiem Paula , Ludwig Stephan , Villinger Alexander , Seidel Wolfram W. 
Published: October 2022

AbstractRedox‐active tungsten alkyne complex‐based phosphines of the type [Tp*W(CO)Br(η2‐C2(PR2)x] (x=1, 2; R=Ph, i‐Pr) and coordination experiments with the corresponding diphosphines are described. The pKB values of the terminal free phosphine groups were estimated indirectly by the 1JP/Se coupling constants in the associated P‐selenides. A ten orders of magnitude higher basicity for the bis(diisopropyl)phosphine derivatives compared to the diphenyl congener as well as a significant difference in basicity of the phosphine depending on its position at the alkyne was determined. The diphosphines were utilized for comparative coordination experiments with Ni(II) and Cu(I) as first row transition metals. The heterobimetallic complexes {[Tp*W(CO)Br(μ‐η2‐C,C′‐κ2‐P,P′‐C2(PR2)2]NiCl2} (R=Ph, i‐Pr) were synthesized and fully characterized, the large difference in basicity and donor strength being underlined by a different degree of stability. Furthermore, two Cu(I) complexes of the isopropyl diphosphine derivative are presented and discussed; one of both being a dinuclear phenanthroline Cu(I) complex and the other a tetranuclear complex exhibiting an angled Cu2Br+ core.
Preparation and characterization of active Cirish fructans–fish gelatin film: Physicochemical, antioxidant, and antimicrobial properties
Authors: Jafari Morteza , Afkhami Rana , Sedaghat Nasser 
Published: October 2022

AbstractThis study was aimed to evaluate the film‐forming ability and characterization of ultrasonically extracted Cirish fructans (CF) and CF–cold‐water fish gelatin (G) composite films. The film‐forming solutions were prepared at different levels (CF100‐0G, CF75‐G25, CF50‐G50, CF25‐G75, and CF0‐G100) and the corresponding data were analyzed based on one‐way analysis of variance. The results indicated that CF addition led to an impressive increase in composite films thickness (69.38–86.45 μm), moisture content (16.05%–27.8%), surface hydrophobicity, tensile strength (5.73–17.89 MPa), elongation at break (0.83%–1.66%), Young's modulus (77.12–88.15 MPa), and Tg (38.83–47.4°C) which CF75‐G25 had the highest values. Meanwhile, the solubility (77.12%–88.15%), WVP (1.89–2.86 × 10−10gm−1 s−1 Pa−1), and oxygen permeability (1.53–3.26 × 1014 cm3 m−1 s−1 Pa−1) of the composite films decreased. The FTIR spectra indicated the protein–polysaccharide interactions and revealed that the secondary structure of gelatin was shifted from triple‐helix structure (1661 cm−1) toward α‐helix structure (1650–1657 cm−1) when CF was incorporated. The microstructure observations indicated that unlike gelatin film, CF film exhibited the smooth and uniform surface without cracks and phase separation. It was found that CF films had high total phenolic content (6.73 mg GEA g−1) and showed DPPH radical scavenging activity (67.86%). On the other hand, it showed inherent antimicrobial activity against both gram‐positive and gram‐negative bacteria. The results indicated that CF and CF‐cold fish gelatin have great potential as active films with improved physical, mechanical, and barrier properties.
A systematic review of process evaluations for psychosocial interventions designed to improve the wellbeing and quality of life of community‐dwelling people with dementia and their carers
Authors: Wyman Danielle Laura , Butler Laurie , Bright Peter , Morgan‐Trimmer Sarah , Budgett Jessica , Cooper Claudia 
Published: October 2022

AbstractBackgroundPsychosocial interventions improve the wellbeing and quality of life of People Living with Dementia (PLWD) and their family carers; but due to their complexity it can be challenging to identify mechanisms of action. We reviewed process evaluations that have sought to elucidate how these interventions work, to inform their implementation.MethodWe systematically reviewed process evaluations of studies evaluating psychosocial interventions for PLWD in their own home and/or their family carers. We rated study quality using the Mixed Methods Appraisal Tool. We described, with reference to Medical Research Council (2015) process evaluation guidance, how implementation, mechanisms of impact and contextual factors were investigated; and describe commonalities in the mechanisms of action identified across studies.ResultsTwenty four included studies evaluated the processes of 22 interventions. These studies collectively applied five frameworks; almost all frameworks' advised evaluations were theory‐based and used mixed‐methods analyses, but only 5/24 evaluation designs were informed by the intervention theory and 8/24 used mixed methods. 8/24 evaluations considered contextual factors in their design, though 20/24 cited contextual factors in findings. Interventions were more successful where PLWD were motivated and aware of potential benefits, and when carers could support engagement and were themselves supported by the intervention. How the intervention aligned with participants' current needs and stage of dementia were key influencing factors.ConclusionKnowing how interventions can influence change for community‐dwelling people with dementia and their family carer's will improve translation of trial findings into practice. Robust, theory‐driven process evaluations can enable this.
Factors associated with cardiovascular events after simultaneous liver–kidney transplant from the US Multicenter Simultaneous Liver–Kidney Transplant Consortium
Authors: Jo Jennifer , Crespo Gonzalo , Gregory Dyanna , Sinha Jasmine , Xie Jiaheng , Zhang Min , Magee John , Barman Pranab , Patel Yuval A. , Schluger Aaron , Walters Kara , Biggins Scott , Filipek Natalia , Cullaro Giuseppe , Wong Randi , Lai Jennifer C. , Perreault Gabriel J. , Verna Elizabeth C. , Sharma Pratima , VanWagner Lisa B. 
Published: October 2022

Cardiovascular disease is a leading complication after both liver and kidney transplantation. Factors associated with and rates of cardiovascular events (CVEs) after simultaneous liver–kidney transplant (SLKT) are unknown. This was a retrospective cohort study of adult SLKT recipients between 2002 and 2017 at six centers in six United Network for Organ Sharing regions in the US Multicenter SLKT Consortium. The primary outcome was a CVE defined as hospitalization due to acute coronary syndrome, arrhythmia, congestive heart failure, or other CV causes (stroke or peripheral vascular disease) within 1 year of SLKT. Among 515 SLKT subjects (mean age ± SD, 55.4 ± 10.6 years; 35.5% women; 68.1% White), 8.7% had a CVE within 1 year of SLKT. The prevalence of a CVE increased from 3.3% in 2002–2008 to 8.9% in 2009–2011 to 14.0% in 2012–2017 (p = 0.0005). SLKT recipients with a CVE were older (59.9 vs. 54.9 years, p < 0.0001) and more likely to have coronary artery disease (CAD) (37.8% vs. 18.4%, p = 0.002) and atrial fibrillation (AF) (27.7% vs. 7.9%, p = 0.003) than those without a CVE. There was a trend toward older age by era of SLKT (p = 0.054). In multivariate analysis adjusted for cardiac risk factors at transplant, age (odds ratio [OR], 1.06; 95% confidence interval [CI], 1.02, 1.11), CAD (OR, 3.62; 95% CI, 1.60, 8.18), and AF (OR, 2.36; 95% CI, 1.14, 4.89) were associated with a 1‐year CVE after SLKT. Conclusion: Among SLKT recipients, we observed a 4‐fold increase in the prevalence of 1‐year CVEs over time. Increasing age, CAD, and AF were the main potential explanatory factors for this trend independent of other risk factors. These findings suggest that CV risk protocols may need to be tailored to this high‐risk population.
Chemical reaction impacts the unsteady MHD convective flow of an incompressible viscous fluid past an infinite vertical porous plate
Authors: Chandra Sekhar B. , Vijaya Kumar P. 
Published: October 2022

AbstractWe studied the radiation magnetohydrodynamic flow of an incompressible viscous electrically conducting fluid past an exponentially accelerated perpendicular surface under the influence of slip velocity in the revolving structure. A steady homogeneous magnetic strength is applied under the assumption of low magnetic Reynolds quantity. The ramped heat and time‐altering concentration near the plate are taken into consideration. First‐order consistent chemical reactions and thermal absorption were also studied. The Laplace transformation technique is used for the non‐dimensional governing equations to get the closed‐form solutions. Supporting these results, the phases for nondimensional shear stress, rate of thermal as well as accumulation transport are also found. Graphical profiles are represented to examine the impact of physical parameters on the important physical flow features. The computational quantities of shear stress and rate of thermal and mass transportation near the surface are tabulated with a variety of implanted parameters. The resulting velocity is growing with an increase in heat and solutal buoyancy forces, while revolution and slip parameters have reverse effects on this. The resulting velocity is falling due to an increase in the Hartmann quantity, while the penetrability parameters have the opposite impacts on this. The species concentration of fluid is reduced by an increase in Schmidt number and chemical reacting parameter.
KLF9 positively regulates TRIM33 to inhibit abnormal synovial fibroblast proliferation, migration as well as inflammation in rheumatoid arthritis
Authors: Huang Dan , Tao Liju , Du Xiuri 
Published: October 2022

AbstractBackgroundRheumatoid arthritis (RA) can cause irreversible joint injury and serious disability. This study aimed to investigate how TRIM33 regulated by KLF9 affects the aggressive behaviors of synovial fibroblasts induced by tumor necrosis factor‐α (TNF‐α).Materials and MethodsTNF‐α‐induced MH7A cells were used to simulate the in vitro model of RA. TRIM33 and KLF9 expression in TNF‐α‐challenged MH7A cells and transfection efficiency were analyzed via real‐time reverse transcription polymerase chain reaction together with western blot. The viability, proliferation, invasion, and migration of TNF‐α‐induced MH7A cells after transfection was respectively detected by CCK‐8, EdU staining, transwell, and wound‐healing assays. The expression of invasion and migration‐related proteins and inflammation‐related proteins was determined by western blot and the levels of inflammatory factors were detected by enzyme‐linked immunosorbent assay. The combination between TRIM33 and KLF9 was substantiated through dual‐luciferase reporter assay and chromatin immunoprecipitation.ResultsTRIM33 and KLF9 expression in TNF‐α‐challenged MH7A cells was downregulated. TRIM33 elevation inhibited TNF‐α‐elicited proliferation, metastasis as well as inflammation of MH7A cells. Moreover, KLF9 was combined with TRIM33 and KLF9 promoted transcription of TRIM33. The inhibitory effect of TRIM33 overexpression on proliferation, invasion and migration and inflammation of MH7A cells induced by TNF‐α was alleviated by the downregulation of KLF9.ConclusionKLF9 positively regulates TRIM33 to suppress the abnormal MH7A cell proliferation, migration, and reduce inflammation upon exposure to TNF‐α, which was reversed by inhibiting KLF9.
The protective effect of arbutin against potassium bromate‐induced oxidative damage in the rat brain
Authors: Akkoyun H. Turan , Uyar Ahmet , Bayramoglu Akkoyun Mahire , Bengü Aydın Şükrü , Melek Şule , Karagözoğlu Fatma , Aydın Sevinç , Ekin Suat , Erdem Sinem Aslan 
Published: October 2022

AbstractThis study aimed to investigate the protective effects of arbutin (ARB) against brain injury induced in rats with potassium bromate (KBrO3). The rats were divided into four groups as Group 1: Control (0.9% NaCl ml/kg/day p.), Group 2: KBrO3(100 mg/kg (gavage), Group 3: ARB (50 mg/kg/day p.), and Group 4: KBrO3 + ARB (100 mg/kg (gavage) + 50 mg/kg/day p.). At the end of the fifth day of the study, the rats in all groups were killed, and their brain tissues were collected. In the collected brain tissues, malondialdehyde (MDA), superoxide dismutase (SOD), and catalase (CAT) levels were measured, and routine histopathological examinations were made. The MDA levels in the group that was exposed to KBrO3were significantly higher than those in the control group (p ˂ 0.001). In comparison to the KBrO3group, the MDA levels in the KBrO3 + ARB group were significantly lower (p ˂ 0.001). It was observed that SOD and CAT enzyme activity levels were significantly lower in the KBrO3group compared to the control group (p ˂ 0.001), while these levels were significantly higher in the KBrO3 + ARB group than in the KBrO3group (p ˂ 0.001). Additionally, the group that was subjected to KBrO3toxicity, as well as ARB administration, had much lower levels of histopathologic signs than the group that was subjected to KBrO3toxicity only. Consequently, it was found that KBrO3exposure led to injury in the brain tissues of the rats, and using ARB was effective in preventing this injury.
Taurine alleviates ochratoxin A‐induced pyroptosis in PK‐15 cells by inhibiting oxidative stress
Authors: Qu Jie , Liu Kai , Liu Shuiping , Yue Dongmei , Zhang Ping , Mao Xinru , He Wenmiao , Huang Kehe , Chen Xingxiang 
Published: October 2022

AbstractOchratoxin A (OTA) is one of the most harmful mycotoxins, which can cause multiple toxicological effects, especially nephrotoxicity in animals and humans. Taurine is an essential amino acid with various biological functions such as anti‐inflammatory and anti‐oxidation. However, the protective effect of taurine on OTA‐induced nephrotoxicity and pyroptosis had not been reported. Our results showed that OTA exposure induced cytotoxicity and oxidative stress in PK‐15 cells, including reactive oxygen species (ROS) accumulation, increased mRNA levels of inducible nitric oxide synthase (iNOS) and cyclooxygenase 2 (COX‐2), and decreased mRNA levels of catalase (CAT), glutathione peroxidase 1 (GPx1), and glutathione peroxidase 4 (GPx4). In addition, OTA treatment induced pyroptosis by increasing the expressions of pyroptosis‐related proteins NLRP3, GSDMD, Caspase‐1 P20, ASC, Pro‐caspase‐1, and IL‐1β. Meanwhile, taurine could alleviate OTA‐induced pyroptosis and cytotoxicity, as well as reduce ROS level, COX‐2, and iNOS mRNA levels, and increase the mRNA levels of the antioxidant enzyme in PK‐15 cells. Taken together, taurine alleviated OTA‐induced pyroptosis in PK‐15 cells by inhibiting ROS generation and altering the activity of antioxidant enzymes, thereby attenuating its nephrotoxicity.
Aggressive‐like behaviour and neurocognitive impairment in alcohol herbal mixture‐fed mice are associated with increased neuroinflammation and neuronal apoptosis in the prefrontal cortex
Authors: Ajayi Abayomi M. , Melete John , Ben‐Azu Benneth , Umukoro Solomon 
Published: October 2022

AbstractAlcohol‐induced aggression and related violence is a serious and common social problem globally. Alcohol use is increasingly found in the form of alcoholic herbal mixtures (AHM) with indiscriminate and unregulated alcohol content. This study investigated the effects of AHM on aggressive‐like, neurocognitive impairment and brain biochemical alteration in mice. Thirty‐two male resident mice were paired housed with female mice for 21 days in four groups (n = 8). Resident mice were treated orally with normal saline, AHM, ethanol and AHM + ethanol daily for 14 days. Aggressive‐like behaviour was scored based on the latency and frequency of attacks by the resident mouse on the intruder. Neurocognitive impairment was determined using the Y‐maze test (YMT) and novel object recognition test (NORT). Acetylcholinesterase, glutamic acid decarboxylase (GAD), pro‐inflammatory and oxidative stress parameters were determined in the prefrontal cortex (PFC). Neuronal morphology, cytochrome c (Cyt‐c) and nuclear factor‐kappa B (NF‐ĸB) expressions were determined. AHM and in combination with ethanol showed an increased index of aggression typified by frequency of attack and reduced latency to attack when compared to normal saline‐treated animals. Co‐administration of AHM and ethanol significantly reduced cognitive correct alternation (%) and discrimination index in the YMT and NORT, respectively. AHM and ethanol increased acetylcholinesterase, Pro‐inflammatory cytokines and oxidative stress parameters while they reduced GAD. There were significantly reduced neuronal counts and increased expression of Cyt‐c and NF‐ĸB, respectively Alcoholic herbal mixture increased aggressiveness and caused neurocognitive impairment via increased oxido‐inflammatory stress in the prefrontal cortex.
Comparative analysis of porcine iPSCs derived from Sertoli cells and fibroblasts
Authors: Yu Shuai , Zhu Zhenshuo , Shen Qiaoyan , Zhang Rui , Zhang Juqing , Wu Xiaolong , Zhao Wenxu , Wu Xiaojie , Yu Taiyong , Zhang Shiqiang , Li Na , Hua Jinlian 
Published: October 2022

AbstractPorcine embryonic fibroblasts (PEFs) can be directly reprogrammed into porcine induced pluripotent stem cells (piPSCs). However, the reprogramming process is generally lengthy and inefficient. Here, we established a fast and efficient induction system of piPSCs from porcine Sertoli cells (SCs) via forced expression of pig Yamanaka factors. The alkaline phosphatase (AP)‐positive colonies from SCs developed on Day 3 after lentivirus infection, and were expanded and then picked up on Day 7, whereas reprogramming process from PEFs did not show any colonies in the same period. The picked piPSCs strongly expressed pluripotent genes, had the differentiation capacity to three germ layers, and could be also induced into primordial germ cell‐like cells. Screening for transcription factor combinations showed that POU class 5 homeobox 1 (OCT4) is the core factor for AP‐positive colony formation, and two factors (OCT4 and c‐MYC) could successfully reprogram SCs into piPSCs. We then compared the RNA‐sequencing data of piPSCs derived from SCs and PEFs, and found that the most significant difference was the activation of Transforming Growth Factor β signaling pathway. We also compared the RNA levels of SCs and PEFs, and found that SCs exhibited higher Wnt signaling activity and Bone Morphogenetic Protein 4 expression than PEFs, which might be correlated with higher cell proliferation rate and reprogramming efficiency. In summary, the data demonstrated that starting cell sources of piPSCs significantly affect reprogramming dynamics and SCs could serve as cell sources for efficient reprogramming.
Spatial Gradients of Quantitative MRI as Biomarkers for Early Detection of Osteoarthritis: Data From Human Explants and the Osteoarthritis Initiative
Authors: Wilson Robert L. , Emery Nancy C. , Pierce David M. , Neu Corey P. 
Published: October 2022

BackgroundHealthy articular cartilage presents structural gradients defined by distinct zonal patterns through the thickness, which may be disrupted in the pathogenesis of several disorders. Analysis of textural patterns using quantitative MRI data may identify structural gradients of healthy or degenerating tissue that correlate with early osteoarthritis (OA).PurposeTo quantify spatial gradients and patterns in MRI data, and to probe new candidate biomarkers for early severity of OA.Study TypeRetrospective study.SubjectsFourteen volunteers receiving total knee replacement surgery (eight males/two females/four unknown, average age ± standard deviation: 68.1 ± 9.6 years) and 10 patients from the OA Initiative (OAI) with radiographic OA onset (two males/eight females, average age ± standard deviation: 57.7 ± 9.4 years; initial Kellgren‐Lawrence [KL] grade: 0; final KL grade: 3 over the 10‐year study).Field Strength/Sequence3.0‐T and 14.1‐T, biomechanics‐based displacement‐encoded imaging, fast spin echo, multi‐slice multi‐echo T2 mapping.AssessmentWe studied structure and strain in cartilage explants from volunteers receiving total knee replacement, or structure in cartilage of OAI patients with progressive OA. We calculated spatial gradients of quantitative MRI measures (eg, T2) normal to the cartilage surface to enhance zonal variations. We compared gradient values against histologically OA severity, conventional relaxometry, and/or KL grades.Statistical TestsMultiparametric linear regression for evaluation of the relationship between residuals of the mixed effects models and histologically determined OA severity scoring, with a significance threshold at α = 0.05.ResultsGradients of individual relaxometry and biomechanics measures significantly correlated with OA severity, outperforming conventional relaxometry and strain metrics. In human explants, analysis of spatial gradients provided the strongest relationship to OA severity (R2 = 0.627). Spatial gradients of T2 from OAI data identified variations in radiographic (KL Grade 2) OA severity in single subjects, while conventional T2 alone did not.Data ConclusionSpatial gradients of quantitative MRI data may improve the predictive power of noninvasive imaging for early‐stage degeneration.Evidence Level1Technical EfficacyStage 1