bluuebunny/crossref_metadata_2025_split huggingface dataset:
Molecular engineering of indenoindene-3-ethylrodanine acceptors with A2-A1-D-A1-A2 architecture for promising fullerene-free organic solar cells
Authors: Khalid Muhammad , Momina  , Imran Muhammad , Rehman Muhammad Fayyaz ur , Braga Ataualpa Albert Carmo , Akram Muhammad Safwan 
Published: October 2021

AbstractConsidering the increased demand and potential of photovoltaic devices in clean, renewable electrical and hi-tech applications, non-fullerene acceptor (NFA) chromophores have gained significant attention. Herein, six novel NFA molecules IBRD1–IBRD6 have been designed by structural modification of the terminal moieties from experimentally synthesized A2-A1-D-A1-A2 architecture IBR for better integration in organic solar cells (OSCs). To exploit the electronic, photophysical and photovoltaic behavior, density functional theory/time dependent-density functional theory (DFT/TD-DFT) computations were performed at M06/6-311G(d,p) functional. The geometry, electrical and optical properties of the designed acceptor molecules were compared with reported IBR architecture. Interestingly, a reduction in bandgap (2.528–2.126 eV), with a broader absorption spectrum, was studied in IBR derivatives (2.734 eV). Additionally, frontier molecular orbital findings revealed an excellent transfer of charge from donor to terminal acceptors and the central indenoindene-core was considered responsible for the charge transfer. Among all the chromophores, IBRD3 manifested the lowest energy gap (2.126 eV) with higher λmax at 734 and 745 nm in gaseous phase and solvent (chloroform), respectively due to the strong electron-withdrawing effect of five end-capped cyano groups present on the terminal acceptor. The transition density matrix map revealed an excellent charge transfer from donor to terminal acceptors. Further, to investigate the charge transfer and open-circuit voltage (Voc), PBDBT donor polymer was blended with acceptor chromophores, and a significant Voc (0.696–1.854 V) was observed. Intriguingly, all compounds exhibited lower reorganization and binding energy with a higher exciton dissociation in an excited state. This investigation indicates that these designed chromophores can serve as excellent electron acceptor molecules in organic solar cells (OSCs) that make them attractive candidates for the development of scalable and inexpensive optoelectronic devices.
Model retraining and information sharing in a supply chain with long-term fluctuating demands
Authors: Ezaki Takahiro , Imura Naoto , Nishinari Katsuhiro 
Published: October 2021

AbstractDemand forecasting based on empirical data is a viable approach for optimizing a supply chain. However, in this approach, a model constructed from past data occasionally becomes outdated due to long-term changes in the environment, in which case the model should be updated (i.e., retrained) using the latest data. In this study, we examine the effects of updating models in a supply chain using a minimal setting. We demonstrate that when each party in the supply chain has its own forecasting model, uncoordinated model retraining causes the bullwhip effect even if a very simple replenishment policy is applied. Our results also indicate that sharing the forecasting model among the parties involved significantly reduces the bullwhip effect.
Environmental spatial heterogeneity of the impacts of COVID-19 on the top-20 metropolitan cities of Asia-Pacific
Authors: Ali Ghaffar , Abbas Sawaid , Qamer Faisal Mueen , Irteza Syed Muhammad 
Published: October 2021

AbstractThis study investigated the environmental spatial heterogeneity of novel coronavirus (COVID-19) and spatial and temporal changes among the top-20 metropolitan cities of the Asia-Pacific. Remote sensing-based assessment is performed to analyze before and during the lockdown amid COVID-19 lockdown in the cities. Air pollution and mobility data of each city (Bangkok, Beijing, Busan, Dhaka, Delhi, Ho Chi Minh, Hong Kong, Karachi, Mumbai, Seoul, Shanghai, Singapore, Tokyo, Wuhan, and few others) have been collected and analyzed for 2019 and 2020. Results indicated that almost every city was impacted positively regarding environmental emissions and visible reduction were found in Aerosol Optical Depth (AOD), sulfur dioxide (SO2), carbon monoxide (CO), and nitrogen dioxide (NO2) concentrations before and during lockdown periods of 2020 as compared to those of 2019. The highest NO2 emission reduction (~ 50%) was recorded in Wuhan city during the lockdown of 2020. AOD was highest in Beijing and lowest in Colombo (< 10%). Overall, 90% movement was reduced till mid-April, 2020. A 98% reduction in mobility was recorded in Delhi, Seoul, and Wuhan. This analysis suggests that smart mobility and partial shutdown policies could be developed to reduce environmental pollutions in the region. Wuhan city is one of the benchmarks and can be replicated for the rest of the Asian cities wherever applicable.
Untargeted metabolomics reveals sex-specific differences in lipid metabolism of adult rats exposed to dexamethasone in utero
Authors: Murray Alyssa , Tharmalingam Sujeenthar , Nguyen Phong , Tai T. C. 
Published: October 2021

AbstractPrenatal stress through glucocorticoid (GC) exposure leads to an increased risk of developing diseases such as cardiovascular disease, metabolic syndrome and hypertension in adulthood. We have previously shown that administration of the synthetic glucocorticoid, dexamethasone (Dex), to pregnant Wistar–Kyoto dams produces offspring with elevated blood pressures and disrupted circadian rhythm signaling. Given the link between stress, circadian rhythms and metabolism, we performed an untargeted metabolomic screen on the livers of offspring to assess potential changes induced by prenatal Dex exposure. This metabolomic analysis highlighted 18 significantly dysregulated metabolites in females and 12 in males. Pathway analysis using MetaboAnalyst 4.0 highlighted key pathway-level metabolic differences: glycerophospholipid metabolism, purine metabolism and glutathione metabolism. Gene expression analysis revealed significant upregulation of several lipid metabolism genes in females while males showed no dysregulation. Triglyceride concentrations were also found to be significantly elevated in female offspring exposed to Dex in utero, which may contribute to lipid metabolism activation. This study is the first to conduct an untargeted metabolic profile of liver from GC exposed offspring. Corroborating metabolic, gene expression and lipid profiling results demonstrates significant sex-specific lipid metabolic differences underlying the programming of hepatic metabolism.
A new optimization algorithm to solve multi-objective problems
Authors: Sharifi Mohammad Reza , Akbarifard Saeid , Qaderi Kourosh , Madadi Mohamad Reza 
Published: October 2021

AbstractSimultaneous optimization of several competing objectives requires increasing the capability of optimization algorithms. This paper proposes the multi-objective moth swarm algorithm, for the first time, to solve various multi-objective problems. In the proposed algorithm, a new definition for pathfinder moths and moonlight was proposed to enhance the synchronization capability as well as to maintain a good spread of non-dominated solutions. In addition, the crowding-distance mechanism was employed to select the most efficient solutions within the population. This mechanism indicates the distribution of non-dominated solutions around a particular non-dominated solution. Accordingly, a set of non-dominated solutions obtained by the proposed multi-objective algorithm is kept in an archive to be used later for improving its exploratory capability. The capability of the proposed MOMSA was investigated by a set of multi-objective benchmark problems having 7 to 30 dimensions. The results were compared with three well-known meta-heuristics of multi-objective evolutionary algorithm based on decomposition (MOEA/D), Pareto envelope-based selection algorithmII(PESA-II), and multi-objective ant lion optimizer (MOALO). Four metrics of generational distance (GD), spacing (S), spread (Δ), and maximum spread (MS) were employed for comparison purposes. The qualitative and quantitative results indicated the superior performance and the higher capability of the proposed MOMSA algorithm over the other algorithms. The MOMSA algorithm with the average values of CPU time = 2771 s,GD = 0.138,S = 0.063, Δ = 1.053, andMS = 0.878 proved to be a robust and reliable model for multi-objective optimization.
Passive acoustic monitoring of killer whales (Orcinus orca) reveals year-round distribution and residency patterns in the Gulf of Alaska
Authors: Myers Hannah J. , Olsen Daniel W. , Matkin Craig O. , Horstmann Lara A. , Konar Brenda 
Published: October 2021

AbstractKiller whales (Orcinus orca) are top predators throughout the world’s oceans. In the North Pacific, the species is divided into three ecotypes—resident (fish-eating), transient (mammal-eating), and offshore (largely shark-eating)—that are genetically and acoustically distinct and have unique roles in the marine ecosystem. In this study, we examined the year-round distribution of killer whales in the northern Gulf of Alaska from 2016 to 2020 using passive acoustic monitoring. We further described the daily acoustic residency patterns of three killer whale populations (southern Alaska residents, Gulf of Alaska transients, and AT1 transients) for one year of these data. Highest year-round acoustic presence occurred in Montague Strait, with strong seasonal patterns in Hinchinbrook Entrance and Resurrection Bay. Daily acoustic residency times for the southern Alaska residents paralleled seasonal distribution patterns. The majority of Gulf of Alaska transient detections occurred in Hinchinbrook Entrance in spring. The depleted AT1 transient killer whale population was most often identified in Montague Strait. Passive acoustic monitoring revealed that both resident and transient killer whales used these areas much more extensively than previously known and provided novel insights into high use locations and times for each population. These results may be driven by seasonal foraging opportunities and social factors and have management implications for this species.
Assessment of bone quality with trabecular bone score in patients with inflammatory bowel disease
Authors: Soare Iulia , Sirbu Anca , Martin Sorina , Diculescu Mircea , Mateescu Bogdan , Tieranu Cristian , Fica Simona 
Published: October 2021

AbstractInflammatory bowel disease (IBD) patients have a significant risk of developing bone loss. The trabecular bone score (TBS) is a relatively new parameter used to provide information on bone quality. The study cohort included 81 patients with IBD and 81 healthy controls. Blood tests, dual-energy x-ray absorptiometry (DXA), including TBS, were assessed. Harvey–Bradshaw Index (HBI) for Crohn's disease (CD) and the Partial Mayo Score for ulcerative colitis (UC) were used for evaluation of clinical disease activity. Compared with the healthy controls, the IBD patients had lower lumbar spine (LS) bone mineral density (BMD) (1.06 ± 0.18 vs. 1.16 ± 0.15 g/cm2, p < 0.005), hip BMD (0.88 ± 0.13 vs. 0.97 ± 0.13 g/cm2, p < 0.005) and TBS (1.38 ± 0.1 vs. 1.43 ± 0.1, p < 0.005) values. The patients with stricturing CD had lower TBS (1.32 ± 0.13 vs. 1.40 ± 0.9, p = 0.03) and LS BMD (0.92 ± 0.19 vs. 1.07 ± 0.1, p = 0.01) values compared with those with non-stricturing CD. Multivariate regression model analysis identified HBI as independent factor associated with TBS. Our results support that all DXA parameters are lower in patients with IBD than in healthy patients. Moreover, TBS is a valuable tool for assessment of bone impairment in active CD.
Shared patterns in body size declines among crinoids during the Palaeozoic extinction events
Authors: Salamon Mariusz A. , Brachaniec Tomasz , Kołbuk Dorota , Saha Anwesha , Gorzelak Przemysław 
Published: October 2021

AbstractCrinoids were among the most abundant marine benthic animals throughout the Palaeozoic, but their body size evolution has received little attention. Here, we compiled a comprehensive database on crinoid calyx biovolumes throughout the Palaeozoic. A model comparison approach revealed contrasting and complex patterns in body size dynamics between the two major crinoid clades (Camerata and Pentacrinoidea). Interestingly, two major drops in mean body size at around two mass extinction events (during the late Ordovician and the late Devonian respectively) are observed, which is reminiscent of current patterns of shrinking body size of a wide range of organisms as a result of climate change. The context of some trends (marked declines during extinctions) suggests the cardinal role of abiotic factors (dramatic climate change associated with extinctions) on crinoid body size evolution; however, other patterns (two intervals with either relative stability or steady size increase in periods between mass extinctions) are more consistent with biotic drivers.
In vivo evaluation of GG2–GG1/A2 element activity in the insulin promoter region using the CRISPR–Cas9 system
Authors: Noguchi Hirofumi , Miyagi-Shiohira Chika , Kinjo Takao , Saitoh Issei , Watanabe Masami 
Published: October 2021

AbstractThe insulin promoter is regulated by ubiquitous as well as pancreatic β-cell-specific transcription factors. In the insulin promoter, GG2–GG1/A2–C1 (bases − 149 to − 116 in the human insulin promoter) play important roles in regulating β-cell-specific expression of the insulin gene. However, these events were identified through in vitro studies, and we are unaware of comparable in vivo studies. In this study, we evaluated the activity of GG2–GG1/A2 elements in the insulin promoter region in vivo. We generated homozygous mice with mutations in the GG2–GG1/A2 elements in each of the Ins1 and Ins2 promoters by CRISPR–Cas9 technology. The mice with homozygous mutations in the GG2–GG1/A2 elements in both Ins1 and Ins2 were diabetic. These data suggest that the GG2–GG1/A2 element in mice is important for Ins transcription in vivo.
α-Fe2O3/graphene oxide powder and thin film nanocomposites as peculiar photocatalysts for dye removal from wastewater
Authors: Khoshnam Mahsa , Farahbakhsh Javad , Zargar Masoumeh , Mohammad Abdul Wahab , Benamor Abdelbaki , Ang Wei Lun , Mahmoudi Ebrahim 
Published: October 2021

AbstractIn this study, hematite graphene oxide (αFe2O3-GO) powder nanocomposites and thin-film hematite graphene oxide (αFe2O3-GO) were synthesized for application in the removal of Rhodamine B (RhB) from textile wastewater. αFe2O3-GO nanomaterials were placed onto the FTO substrate to form a thin layer of nanocomposites. Different analysis including XRD, FTIR, Raman spectra, XPS, and FESEM were done to analyze the morphology, structure, and properties of the synthesized composites as well as the chemical interactions of αFe2O3 with GO. The photocatalytic performance of two synthesized composites was compared with different concentrations of αFe2O3-GO. The results showed that powder nanocomposites are more effective than thin-film composites for the removal of RhB dye. αFe2O3-GO-5% powder nanocomposites removed over 64% of dye while thin-film nanocomposites had less removal efficiencies with just under 47% removal rate. The reusability test was done for both materials in which αFe2O3-GO-5% powder nanocomposites removed a higher rate of dye (up to 63%) in more cycles (6 cycles).
Stellenwert der ASS-Therapie in der kardio- und zerebrovaskulären Prävention
Authors: Gassanov Natig , Eicke Martin , Er Fikret 
Published: October 2021

ZusammenfassungAcetylsalicylsäure (ASS), eines der am meisten verwendeten Medikamente weltweit, spielt als Thrombozytenaggregationshemmer eine bedeutende Rolle bei der Behandlung und Sekundärprophylaxe vieler vaskulärer Erkrankungen. Dagegen ist die primärprophylaktische Indikation umstritten. Nach der neuesten Evidenz wird der Einsatz von ASS zunehmend kritisch bei Patienten ohne bestehende atherosklerotische Erkrankungen bewertet. Zwar senkt die Substanz die ischämischen Ereignisse, dies geht allerdings mit einem erhöhten Blutungsrisiko einher, sodass in der Summe kein relevanter klinischer Vorteil übrigbleibt. Deswegen wird das Mittel bei Patienten ohne nachgewiesene kardio- bzw. zerebrovaskuläre Erkrankung generell nicht empfohlen.
Bewegungstherapie und Sport bei Fettstoffwechselstörungen
Authors: Krüger Karsten 
Published: October 2021

ZusammenfassungZahlreiche Studien belegen den starken Zusammenhang zwischen Veränderungen des Plasma-Lipidprofils und dem kardiovaskulären Risiko. Körperliche Aktivität stellt eine wirksame Präventions- und Therapiestrategie der Fettstoffwechselstörungen dar und wirkt gleichzeitig gegen zahlreiche Komorbiditäten, die oftmals das Krankheitsbild begleiten. Mechanistische Grundlagen der Sport- und Bewegungstherapie liegen im erhöhten Energieumsatz, den funktionellen und strukturellen Adaptationen an die metabolische Beanspruchung sowie in den immunregulierenden Effekten der Bewegung. Als besonders wirksam auf das Lipidprofil haben sich moderate Ausdauerbelastungen herausgestellt, die jedoch im Sinne einer umfassenden Gesundheitsförderung durch Sport optimiert werden können. Empfohlen werden ein aktiver Alltag sowie ein polarisiertes Training aus aerobem sowie Intervalltraining.
Mykotherapie bei Fettstoffwechselstörungen – wertvoller Beitrag von Vitalpilzen
Authors: Bös Dorothee 
Published: October 2021

ZusammenfassungDie Mykotherapie – synonym auch als Pilzheilkunde bezeichnet – findet heute breite therapeutische Anwendung, insbesondere bei zahlreichen Zivilisationskrankheiten. Das vornehmlich aus der TCM überlieferte mykotherapeutische Wissen wurde mittlerweile durch zahlreiche Untersuchungen und Studien bestätigt. Eine große Vielzahl der bioaktiven Inhaltsstoffe von Vital- bzw. Heilpilzen konnte analysiert und zahlreiche Wirkmechanismen konnten aufgeklärt werden. Die gewonnenen Erkenntnisse zeigen, dass Pilze bei den mit Fettstoffwechselstörungen einhergehenden Erkrankungen sowohl als Nahrungsmittel als auch als Vitalpilztherapeutikum die Situation verbessern.
Therapeutic versus Prophylactic Bemiparin in Hospitalized Patients with Nonsevere COVID-19 Pneumonia (BEMICOP Study): An Open-Label, Multicenter, Randomized, Controlled Trial
Authors: Marcos-Jubilar María , Carmona-Torre Francisco , Vidal Rosa , Ruiz-Artacho Pedro , Filella David , Carbonell Cristina , Jiménez-Yuste Víctor , Schwartz Juana , Llamas Pilar , Alegre Félix , Sádaba Belén , Núñez-Córdoba Jorge , Yuste José R. , Fernández-García Javier , Lecumberri Ramón ,   for the BEMICOP Investigators
Published: October 2021

AbstractThromboprophylaxis with low molecular weight heparin in hospitalized patients with COVID-19 is mandatory, unless contraindicated. Given the links between inflammation and thrombosis, the use of higher doses of anticoagulants could improve outcomes. We conducted an open-label, multicenter, randomized, controlled trial in adult patients hospitalized with nonsevere COVID-19 pneumonia and elevated D-dimer. Patients were randomized to therapeutic-dose bemiparin (115 IU/kg daily) versus standard prophylaxis (bemiparin 3,500 IU daily), for 10 days. The primary efficacy outcome was a composite of death, intensive care unit admission, need of mechanical ventilation support, development of moderate/severe acute respiratory distress, and venous or arterial thrombosis within 10 days of enrollment. The primary safety outcome was major bleeding (International Society on Thrombosis and Haemostasis criteria). A prespecified interim analysis was performed when 40% of the planned study population was reached. From October 2020 to May 2021, 70 patients were randomized at 5 sites and 65 were included in the primary analysis; 32 patients allocated to therapeutic dose and 33 to standard prophylactic dose. The primary efficacy outcome occurred in 7 patients (22%) in the therapeutic-dose group and 6 patients (18%) in the prophylactic-dose (absolute risk difference 3.6% [95% confidence interval [CI], –16% –24%]; odds ratio 1.26 [95% CI, 0.37–4.26]; p = 0.95). Discharge in the first 10 days was possible in 66 and 79% of patients, respectively. No major bleeding event was registered. Therefore, in patients with COVID-19 hospitalized with nonsevere pneumonia but elevated D-dimer, the use of a short course of therapeutic-dose bemiparin does not appear to improve clinical outcomes compared with standard prophylactic doses. Trial Registration: ClinicalTrials.gov NCT04604327.
A Case Report of Giant Ascending Aortic Aneurysm: Role of Multimodality Imaging
Authors: Shah Shabir H. , Shah Muhammad A. , Alganadi Abudar A. M. , Alshehri Halia Z. , Mir Mudasir S. , Alshammari Abdulaziz M. 
Published: October 2021

AbstractGiant ascending aortic aneurysm (AscAA >10 cm) is an uncommon entity with a variable presentation. The size of the aneurysm, rapid expansion, and calcification are associated with an increased risk of rupture. Atherosclerosis is the most common etiology of aortic aneurysm in the elderly population. Multimodality imaging can be wisely used for diagnosis, risk stratification, and follow-up. We herein report a case of successfully repaired giant calcified AscAA with a maximum diameter of 10 cm. We also provide a brief discussion on the role of multimodality imaging.
Challenges in Image-Guided Drainage of Infected Pleural Collections: A Review
Authors: Bhalla Ashu S. , Jana Manisha , Naranje Priyanka , Singh Swish K. , Banday Irshad 
Published: October 2021

AbstractInfected pleural fluid collections (IPFCs) commonly occur as a part of bacterial, fungal, or tubercular pneumonia or due to involvement of pleura through hematogenous route. Management requires early initiation of therapeutic drugs, as well as complete drainage of the fluid, to relieve patients' symptoms and prevent pleural fibrosis. Image-guided drainage plays an important role in achieving these goals and improving outcomes. Intrapleural fibrinolytic therapy (IPFT) is also a vital component of the management. The concepts of image-guided drainage procedures, IPFT, and nonexpanding lung are discussed in this review.