bluuebunny/crossref_metadata_2025_split huggingface dataset:
Influence of LiTaO3(0001) and KTaO3(001) Perovskites Structures on the Molecular Adsorption of Styrene and Styrene oxide: A Theoretical Insight by Periodic DFT Calculations
Authors: Toledo Felipe , Schott Eduardo , Saavedra‐Torres Mario , Delgado Eduardo , Pecchi Gina , Zarate Ximena 
Published: August 2022

AbstractIn this research, the adsorption of styrene and styrene oxide, both biomass derivatives, on KTaO3(001) and LiTaO3(0001) perovskite‐like structures was studied from a theoretical point of view. The study was carried out using density functional theory (DFT) calculations. The adsorption phenomenon was deeply studied by calculating the adsorption energies (Eads), adsorbate‐surface distances (Å) and evaluating the differences of charge density and charge transfer (ΔCT). For complexes adsorbed on KTaO3 (TaO2, KO and K(OH)2 exposed layers), the highest Eads was found for styrene oxide, attributed to the oxygen reactivity of the epoxy group describing a strong interaction with the surface. However, when evaluating a K(O)2 model, a more favorable interaction of styrene with the surface is observed, resulting in a high Eads of −9.9 eV and a ΔCT of 3.1e. For LiTaO3, more favorable interactions are found for both adsorbates compared to KTaO3, evidenced by the higher adsorption energies and charge density differences, particularly for the styrene complex adsorbed on TaO2 exposed layer (Eads: −10.2 eV). For the LiO termination, the surface exposed oxygens are fundamental for the adsorption of styrene and styrene oxide, leading to a considerable structural distortion. The obtained results thus provide understanding of the structural features, surface reactivity and adsorption sites of LiTaO3 and KTaO3 perovskite in the context of a heterogeneous catalytic process, such as the oxidation of styrene.
Low‐boiling Point Perfluorocarbon Nanodroplets as Dual‐Phase Dual‐Modality MR/US Contrast Agent
Authors: McHugh Christian T. , Durham Phillip G. , Atalla Sebastian , Kelley Michele , Bryden Nicholas J. , Dayton Paul A. , Branca Rosa T. 
Published: August 2022

AbstractDetection of bare gas microbubbles by magnetic resonance (MR) at low concentrations typically used in clinical contrast‐ultrasound studies was recently demonstrated using hyperCEST. Despite the enhanced sensitivity achieved with hyperCEST, in vivo translation is challenging as on‐resonance saturation of the gas‐phase core of microbubbles consequently results in saturation of the gas‐phase hyperpolarized 129Xe within the lungs. Alternatively, microbubbles can be condensed into the liquid phase to form perfluorocarbon nanodroplets, where 129Xe resonates at a chemical shift that is separated from the gas‐phase signal in the lungs. For ultrasound applications, nanodroplets can be acoustically reverted back into their microbubble form to act as a phase‐change contrast agent. Here, we show that low‐boiling point perfluorocarbons, both in their liquid and gas form, generate phase‐dependent hyperCEST contrast. Magnetic resonance detection of ultrasound‐mediated phase transition demonstrates that these perfluorocarbons could be used as a dual‐phase dual‐modality MR/US contrast agent.
Comparative phenomics of root architecture and anatomy in Phaseolus species
Authors: Massas Anica Sandra F. , Strock Christopher F. , Schneider Hannah M. , Debouck Daniel G. , Brown Kathleen M. , Lynch Jonathan P. 
Published: August 2022

AbstractPhaseolus species are globally important food security crops. Drought and low soil fertility are primary constraints to Phaseolus production in developing nations. Root phenes have important roles in soil resource capture and plant performance. We profiled root phenotypes in 30 wild and seven domesticated Phaseolus taxa in laboratory and greenhouse environments. Our results reveal that substantial variation for root phenotypes exists among and within Phaseolus taxa, notably for phenes such as basal root number, basal root whorl number, root hair length, root hair density, metaxylem vessel number, and total cross‐sectional area. Wild taxa display greater genetic variation for root architecture and anatomy and possess desirable phenotypes that are either not found or are not sufficiently expressed in domesticated accessions. Consequently, wild taxa represent an important resource for breeding programs to improve abiotic stress tolerance. Root phenotypes were also associated with the environment in the region of origin, suggesting that they have adaptive value. We speculate that significant variation in root phenotypes across different Phaseolus species is related to their abiotic stress tolerance and are valuable for breeding programs focused on improving edaphic stress tolerance.
Recent Advances in Carbon Dioxide Adsorption, Activation and Hydrogenation to Methanol using Transition Metal Carbides
Authors: Ranjan Prabodh , Saptal Vitthal B. , Bera Jitendra K. 
Published: August 2022

AbstractThe inevitable emission of carbon dioxide (CO2) due to the burning of a substantial amount of fossil fuels has led to serious energy and environmental challenges. Metal‐based catalytic CO2 transformations into commodity chemicals are a favorable approach in the CO2 mitigation strategy. Among these transformations, selective hydrogenation of CO2 to methanol is the most promising process that not only fulfils the energy demands but also re‐balances the carbon cycle. The investigation of CO2 adsorption on the surface of heterogeneous catalyst is highly important because the formation of various intermediates which determines the selectivity of product. Transition metal carbides (TMCs) have received considerable attention in recent years because of their noble metal‐like reactivity, ceramic‐like properties, high chemical and thermal stability. These features make them excellent catalytic materials for a variety of transformations such as CO2 adsorption and its conversion into value‐added chemicals. Herein, the catalytic properties of TMCs are summarize along with synthetic methods, CO2 binding modes, mechanistic studies, effects of dopant on CO2 adsorption, and carbon/metal ratio in the CO2 hydrogenation reaction to methanol using computational as well as experimental studies. Additionally, this Review provides an outline of the challenges and opportunities for the development of potential TMCs in CO2 hydrogenation reactions.
Segmented Structure Design of Carbon Ring In‐Plane Embedded in g‐C3N4 Nanotubes for Ultra‐High Hydrogen Production
Authors: Wu Xiaobo , Fan Huiqing , Wang Weijia , Lei Lin , Chang Xinye , Ma Longtao 
Published: August 2022

AbstractThe photocatalytic water splitting capability of metal‐free graphitic carbon nitride (g‐C3N4) photocatalyst is determined by its microstructure and photoexcited electrons transfer. Herein, a segmented structure was developed, consisting of alternant g‐C3N4 nanotubes and graphitic carbon rings (denoted as Cr‐CN‐NT). The Cr‐CN‐NT showed ordered structure and ultralong length/diameter ratio of 150 nm in diameter and a few microns in lengths, which promoted electron transport kinetics and elongated photocarrier diffusion length and lifetime. Meanwhile, the local in‐plane π‐conjugation was formed and extended in Cr‐CN‐NT, which could improve charge carrier density and prohibit electron–hole recombination. Accordingly, the average hydrogen evolution rate of Cr‐CN‐NT reached 9245 μmol h−1 g−1, which was 61.6 times that of pristine CN, and the remarkable apparent quantum efficiency (AQE) of Cr‐CN‐NT reached up to 12.86 % at 420 nm. This work may provide a pathway for simultaneous morphology regulation and in‐plane modification of high‐performance photocatalysts.
Neratinib inhibits proliferation and promotes apoptosis of acute myeloid leukemia cells by activating autophagy‐dependent ferroptosis
Authors: Ma Hongxia , Liu Yang , Miao Zhen , Cheng Shijia , Zhu Yunan , Wu Yifan , Fan Xinxin , Yang Jing , Li Xingang , Guo Liyin 
Published: August 2022

AbstractAcute myeloid leukemia (AML) is a hematologic malignancy with increased lethality. We focused on elucidating the role of Neratinib, a tyrosine kinase inhibitor, in the progression of AML and identify the potential mechanisms. Upon the treatment of Neratinib, autophagy suppressor 3‐methyladenine (3‐MA) and ferroptosis stimulator Erastin, the viability and proliferation of HL‐60 cells were evaluated by cell counting kit‐8 and 5‐Ethynyl‐20‐Deoxyuridine staining assays. A flow cytometer was to observe cell cycle and apoptosis. Production of reactive oxygen species (ROS) was tested via 2,7‐dichlorodihydrofluorescein diacetate assay. Additionally, malondialdehyde (MDA) content and Fe2+ activity were examined with commercial kits. LC3‐II expression was examined by using immunofluoresence staining. Western blot analysis ascertained the expression of proliferation, apoptosis, ferroptosis and autophagy‐associated proteins. It was noted that Neratinib notably mitigated cell viability and proliferation, cut down Ki67 and proliferating cell nuclear antigen expression. Moreover, Neratinib hindered cell cycle at G0/G1 phase whereas exacerbated apoptosis. ROS, MDA and Fe2+ activities were elevated by Neratinib, coupled with the reduced glutathione peroxidase 4, ferritin heavy chain 1 expression and enhanced acyl‐CoA synthetase long‐chain family member 4 expression. Furthermore, Neratinib promoted autophagy of HL‐60 cells, evidenced by raised LC3‐II, ATG5, Beclin1 expression and lessened p62 expression. Importantly, 3‐MA eased the impacts of Neratinib on cell ferroptosis, proliferation and apoptosis, which were offset by further administration of Erastin. To conclude, Neratinib could suppress proliferation and promote apoptosis of HL‐60 cells through autophagy‐dependent ferroptosis.
Acute diabetic foot in post kidney transplantation patients receiving chronic immunosuppression—clinical presentation and outcomes
Authors: Gorin Kobi , Cahn Avivit , Leibovitch Michal , Peled Shachar , Perzon Ofer , Tzukert Keren , Haze Amir , Elishoov Ofer , Olshtain‐Pops Karen , Gelman Yechiel Nisan 
Published: August 2022

AbstractAimsData regarding diabetic foot ulcers in patients after solid organ transplantation, particularly kidney transplantation, are limited. Chronic immunosuppression may be associated with impaired wound healing and a higher risk of amputations. In this study, we characterised the clinical presentation and outcomes of patients after kidney transplantation admitted to the diabetic foot unit, compared to non‐kidney‐transplant patients.Materials and MethodsData on the baseline characteristics, clinical presentation, and outcomes of all patients admitted to the diabetic foot unit of a large tertiary centre between the years 2014 and 2019 were collected. The most recent admission of each patient was considered. Primary outcomes were major amputations and 1 year mortality rate.ResultsDuring the study period, 537 patients were hospitalised, 18 of them were receiving immunosuppressive therapy due to kidney transplantation. Baseline characteristics of the patients were broadly similar, except that smoking was reported by 22.0% of the non‐transplant patients and by none of the post‐transplant patients (p = 0.01). Post‐transplant patients tended to be younger (59.4 ± 11.1 vs. 65.3 ± 12.2; p = 0.07), were more likely to have type‐1 diabetes (16.7% vs. 5.2%; p = 0.07) and had lower glucose levels upon admission (9.4 ± 4.3 vs. 12.0 ± 6.4 mmol/L; p = 0.07). Overall, 30% of the patients underwent major amputation, in‐patient mortality rate was 9.3%, and 1 year mortality rate was 27.2%. Rates were similar in the post‐transplant versus the non‐post‐transplant patients (p = 0.83, 1.00, 0.59, respectively).ConclusionsPost‐transplant patients did not incur worse outcomes in spite of immunosuppressive therapy. Limb salvage efforts should be pursued in these patients similar to the overall population.
An immersed boundary vector potential‐vorticity meshless solver of the incompressible Navier–Stokes equation
Authors: Bourantas George C. , Zwick Benjamin F. , Lavier Theo Philippe , Loukopoulos Vassilios C. , Dimas Athanassios A. , Wittek Adam , Miller Karol 
Published: August 2022

AbstractWe present a strong form meshless solver for numerical solution of the nonstationary, incompressible, viscous Navier–Stokes equations in two (2D) and three dimensions (3D). We solve the flow equations in their stream function‐vorticity (in 2D) and vector potential‐vorticity (in 3D) formulation, by extending to 3D flows the boundary condition‐enforced immersed boundary method, originally introduced in the literature for 2D problems. We use a Cartesian grid, uniform or locally refined, to discretize the spatial domain. We apply an explicit time integration scheme to update the transient vorticity equations, and we solve the Poisson type equation for the stream function or vector potential field using the meshless point collocation method. Spatial derivatives of the unknown field functions are computed using the discretization‐corrected particle strength exchange method. We verify the accuracy of the proposed numerical scheme through commonly used benchmark and example problems. Excellent agreement with the data from the literature was achieved. The proposed method was shown to be very efficient, having relatively large critical time steps.
Global burden of liver cancer in males and females: Changing etiological basis and the growing contribution of NASH
Authors: Tan Darren Jun Hao , Setiawan Veronica Wendy , Ng Cheng Han , Lim Wen Hui , Muthiah Mark D. , Tan Eunice X. , Dan Yock Young , Roberts Lewis R. , Loomba Rohit , Huang Daniel Q. 
Published: August 2022

Background and Aim:
The etiology of liver diseases has changed in recent years, but its impact on the comparative burden of liver cancer between males and females is unclear. We estimated sex differences in the burden of liver cancer across 204 countries and territories from 2010 to 2019.

Approach and Result:
We analyzed temporal trends in the burden of liver cancer using the methodology framework of the 2019 Global Burden of Disease study. We estimated annual frequencies and age‐standardized rates (ASRs) of liver cancer incidence, death, and disability‐adjusted life‐years (DALYs) by sex, country, region, and etiology of liver disease. Globally in 2019, the frequency of incident cases, deaths, and DALYs due to liver cancer were 376,483, 333,672, and 9,048,723 in males, versus 157,881, 150,904, and 3,479,699 in females. From 2010 to 2019, the incidence ASRs in males increased while death and DALY ASRs remained stable; incidence, death, and DALY ASRs in females decreased. Death ASRs for both sexes increased only in the Americas and remained stable or declined in remaining regions. In 2019, hepatitis B was the leading cause of liver cancer death in males, and hepatitis C in females. From 2010 to 2019, NASH had the fastest growing death ASRs in males and females. The ratio of female‐to‐male death ASRs in 2019 was lowest in hepatitis B (0.2) and highest in NASH (0.9).

Conclusions:
The overall burden of liver cancer is higher in males, although incidence and death ASRs from NASH‐associated liver cancer in females approach that of males.
The HSP90 inhibitor 17‐DMAG alleviates primary biliary cholangitis via cholangiocyte necroptosis prevention
Authors: Chen Liuying , Fan Huiqian , Chu Huikuan , Du Fan , Chen Yixiong , Hu Lilin , Li Zhonglin , Wang Weijun , Hou Xiaohua , Yang Ling 
Published: August 2022

AbstractCholangiocyte death accompanied by the progression of primary biliary cholangitis (PBC) has not yet been thoroughly investigated. Thus, we are aimed to explore the role of HSP90 and a potential treatment strategy in cholangiocyte necroptosis. First, we detected the expression of HSP90 and necroptotic markers in liver tissues from patients and mice with PBC by immunohistochemistry (IHC) and real‐time polymerase chain reaction (PCR). Then, the HSP90 inhibitor, 17‐dimethylaminoethylamino‐17‐demethoxygeldanamycin (17‐DMAG), was administered by intraperitoneal injection to evaluate its therapeutic effect for PBC by IHC, real‐time PCR, and western blotting. Human intrahepatic bile duct epithelial cells (HIBECs) were induced to necroptosis by toxic bile acid and lipopolysaccharide (LPS) treatment, and evaluated via Cell Counting Kit‐8 and flow cytometry assays. Additionally, 17‐DMAG, cycloheximide, and a proteasome inhibitor were used to evaluate the role of HSP90 in cholangiocyte necroptosis. We found that the expression of HSP90 was elevated in the cholangiocytes of patients and mice with PBC, along with higher expressions of receptor‐interacting serine/threonine‐protein kinase 1 (RIPK1), RIPK3, mixed lineage kinase domain‐like protein (MLKL), and phosphorylated‐MLKL (p‐MLKL). Proinflammatory cytokines and antibody levels of the E2 subunit of pyruvate dehydrogenase complex decreased after treatment with 17‐DMAG in PBC mice. Meanwhile, RIPK1, RIPK3, phosphorylated‐RIPK3, MLKL, and p‐MLKL protein expressions decreased with 17‐DMAG treatment. In vitro, 17‐DMAG and necrostatin‐1 prevented glycochenodeoxycholic acid and LPS‐induced necroptosis of HIBECs. Immunoprecipitation and high‐performance liquid chromatography–mass spectrometry analysis showed that RIPK1 combined with HSP90. Additionally, the 17‐DMAG treatment reduced the RIPK1 half‐life. Overall, 17‐DMAG might be a potential therapeutic agent for PBC via cholangiocyte necroptosis prevention by accelerating RIPK1 degradation.
Districts' and schools' role in identifying and providing services for homeless students: Nested ecological case studies in school districts with high‐ and low‐socioeconomic status
Authors: Moore Hadass , Astor Ron Avi , Capp Gordon 
Published: August 2022

AbstractEven though homeless students are nested in schools and districts with different socioeconomic status (SES) contexts, little is known about the role of schools and districts for homeless students in these differing contexts. This comparative case study explored the identification, service provision, and school experience of homeless students in high‐ and low‐SES districts. Mixed‐methods case study methodology was used to compare two school districts and their four elementary and middle schools in California. The districts differed based on their SES: low to medium versus high. Findings show that despite differences in the SES context, both districts were underidentifying homeless students. Hence, both districts were underserving and lacking awareness of homeless students that were not identified. However, the low‐SES district had far greater poverty awareness and, subsequently, an existing organizational structure than the high‐SES district to support identified homeless students. Poverty awareness and districts' organizational structure are important contextual factors to consider in designing local and tailored interventions and services for homeless students.
Request for biliary drainage for IgG4‐SC could be waived before steroid administration?
Authors: Kurita Yusuke , Kubota Kensuke , Suzuki Ko , Yagi Shin , Hasegawa Sho , Sato Takamitsu , Hosono Kunihiro , Kobayashi Noritoshi , Endo Itaru , Nakajima Atsushi 
Published: August 2022

AbstractBackgroundIn IgG4‐related sclerosing cholangitis (IgG4‐SC), the necessity of biliary drainage (BD) is unclear. In this study, we aimed to retrospectively investigate the improvement of liver damage and jaundice in cases of IgG4‐SC with and without BD, before starting steroids.MethodsA total of 52 patients with IgG4‐SC were investigated in the study. The study endpoints were the normalization rate of alkaline phosphatase (ALP)/total bilirubin (T‐Bil) after 8 weeks of steroids, with and without BD.ResultsPropensity score matching was performed based on ALP and T‐Bil, and 28 patients were included. There were 14 patients each in the BD and non‐BD groups. Before initiation of steroids, the mean ALP in the BD group and the non‐BD group was 378/461 (P = .541); the mean T‐Bil was 2.5/1.8 (P = .401). Eight weeks after initiation of steroids, ALP improvement rate in the BD group/non‐BD group was 69.2%/61.5% (P = 1.000), and T‐Bil improvement rate was 100%/100% (P = Ns).ConclusionsSteroids for IgG4‐SC could prove effective in improving liver damage and jaundice, regardless of the presence or absence of BD. BD for IgG4‐SC aimed to improve jaundice may not be necessary.
Synthesis and evaluation of new phosphonated δ‐lactam and glutarimide derivatives as angiotensin converting enzyme inhibitors
Authors: Abdelli Abderrahmen , Bejaoui Oumayma , Bougatef Hajer , Ouni Sarra , Sila Assaâd , M'rabet Hedi , Moreau Xavier , Efrit Mohamed Lotfi , Prim Damien 
Published: August 2022

AbstractAn efficient synthesis of new γ,δ‐insaturated δ‐lactam and glutarimide derivatives bearing a phosphonomethyl group from a common allylphosphonate precursor is described. Our approach is based on a two‐step procedure involving the preparation of phosphonated‐1,5‐ketoester and −1,5‐diester followed by an amidation–heterocyclization sequence. The first step proceeds via Michael's addition of ethyl acetoacetate and diethyl malonate on an allylphosphonate starting material. The second step consists of a base‐promoted intramolecular amidation‐cyclization sequence with primary amines, which accounts for the construction of δ‐lactams and glutarimide skeletons. We performed the evaluation of angiotensin I‐converting enzyme (ACE) inhibition using an in vitro enzyme assay on six new compounds. Five compounds showed potent ACE inhibitory activity, with IC50 values ranging from 0.02 to 0.27 mg/ml. Compared with Captopril, used as a reference drug, two new glutarimide derivatives exhibited higher efficiency ACE inhibition activity.
Outbreak of acute respiratory disease caused by human adenovirus type 7 and human coronavirus‐229E in Zhejiang Province, China
Authors: Liu Shelan , Cai Jian , Li Yumin , Ying Lihong , Li Huan , Zhu An , Li Lin , Zhu Haiying , Dong Shengcao , Ying Ruyao , Chan Ta‐Chien , Wu Hanting , Pan Jinren , Chen Yin 
Published: August 2022

AbstractIn 2019, an outbreak of pharyngoconjunctival fever (PCF) occurred at a swimming center in Zhejiang Province, China. A total of 97 (13.55%) of the 716 amateur swimmers had illnesses, with 24 patients (24.74%) hospitalized in the pediatric ward. Human adenovirus serotype 7 (HAdV‐7) was isolated from one concentrated water from the swimming pool, and 20 of 97 positive cases without liver damage. This outbreak led to a nosocomial outbreak in the pediatric ward, in which 1 nurse had a fever and was confirmed to be adenovirus positive. The hexon, fiber, and penton genes from 20 outbreak cases, 1 water sample, and 1 nurse had 100% homology. Furthermore, 2 cases admitted to the pediatric ward, 2 parents, and 1 doctor were confirmed to be human coronaviruses (HCoV‐229E) positive. Finally, all outbreak cases had fully recovered, regardless of a single infection (adenovirus or HCoV‐229E) or coinfection of these two viruses simultaneously. Thus, PCF and acute respiratory disease outbreaks in Zhejiang were caused by the completely homologous type 7 adenovirus and HCoV‐229E, respectively. The swimming pool water contaminated with HAdV‐7 was most likely the source of the PCF outbreak, whereas nosocomial transmission might be the source of HCoV‐229E outbreak.