bluuebunny/crossref_metadata_2025_split huggingface dataset:
Design and synthesis of novel nitrothiazolacetamide conjugated to different thioquinazolinone derivatives as anti-urease agents
Authors: Sohrabi Marzieh , Nazari Montazer Mohammad , Farid Sara Moghadam , Tanideh Nader , Dianatpour Mehdi , Moazzam Ali , Zomorodian Kamiar , Yazdanpanah Somayeh , Asadi Mehdi , Hosseini Samanesadat , Biglar Mahmood , Larijani Bagher , Amanlou Massoud , Barazandeh Tehrani Maliheh , Iraji Aida , Mahdavi Mohammad 
Published: February 2022

AbstractThe present article describes the design, synthesis, in vitro urease inhibition, and in silico molecular docking studies of a novel series of nitrothiazolacetamide conjugated to different thioquinazolinones. Fourteen nitrothiazolacetamide bearing thioquinazolinones derivatives (8a-n) were synthesized through the reaction of isatoic anhydride with different amine, followed by reaction with carbon disulfide and KOH in ethanol. The intermediates were then converted into final products by treating them with 2-chloro-N-(5-nitrothiazol-2-yl)acetamide in DMF. All derivatives were then characterized through different spectroscopic techniques (1H, 13C-NMR, MS, and FTIR). In vitro screening of these molecules against urease demonstrated the potent urease inhibitory potential of derivatives with IC50 values ranging between 2.22 ± 0.09 and 8.43 ± 0.61 μM when compared with the standard thiourea (IC50 = 22.50 ± 0.44 μM). Compound 8h as the most potent derivative exhibited an uncompetitive inhibition pattern against urease in the kinetic study. The high anti-ureolytic activity of 8h was confirmed against two urease-positive microorganisms. According to molecular docking study, 8h exhibited several hydrophobic interactions with Lys10, Leu11, Met44, Ala47, Ala85, Phe87, and Pro88 residues plus two hydrogen bound interactions with Thr86. According to the in silico assessment, the ADME-Toxicity and drug-likeness profile of synthesized compounds were in the acceptable range.
Fully automated quantification of in vivo viscoelasticity of prostate zones using magnetic resonance elastography with Dense U-net segmentation
Authors: Aldoj Nader , Biavati Federico , Dewey Marc , Hennemuth Anja , Asbach Patrick , Sack Ingolf 
Published: February 2022

AbstractMagnetic resonance elastography (MRE) for measuring viscoelasticity heavily depends on proper tissue segmentation, especially in heterogeneous organs such as the prostate. Using trained network-based image segmentation, we investigated if MRE data suffice to extract anatomical and viscoelastic information for automatic tabulation of zonal mechanical properties of the prostate. Overall, 40 patients with benign prostatic hyperplasia (BPH) or prostate cancer (PCa) were examined with three magnetic resonance imaging (MRI) sequences: T2-weighted MRI (T2w), diffusion-weighted imaging (DWI), and MRE-based tomoelastography, yielding six independent sets of imaging data per patient (T2w, DWI, apparent diffusion coefficient, MRE magnitude, shear wave speed, and loss angle maps). Combinations of these data were used to train Dense U-nets with manually segmented masks of the entire prostate gland (PG), central zone (CZ), and peripheral zone (PZ) in 30 patients and to validate them in 10 patients. Dice score (DS), sensitivity, specificity, and Hausdorff distance were determined. We found that segmentation based on MRE magnitude maps alone (DS, PG: 0.93 ± 0.04, CZ: 0.95 ± 0.03, PZ: 0.77 ± 0.05) was more accurate than magnitude maps combined with T2w and DWI_b (DS, PG: 0.91 ± 0.04, CZ: 0.91 ± 0.06, PZ: 0.63 ± 0.16) or T2w alone (DS, PG: 0.92 ± 0.03, CZ: 0.91 ± 0.04, PZ: 0.65 ± 0.08). Automatically tabulated MRE values were not different from ground-truth values (P>0.05). In conclusion, MRE combined with Dense U-net segmentation allows tabulation of quantitative imaging markers without manual analysis and independent of other MRI sequences and can thus contribute to PCa detection and classification.
Passive acoustic monitoring of sperm whales and anthropogenic noise using stereophonic recordings in the Mediterranean Sea, North West Pelagos Sanctuary
Authors: Poupard Marion , Ferrari Maxence , Best Paul , Glotin Hervé 
Published: February 2022

AbstractA total of 147 days spread over 4 years were recorded by a stereophonic sonobuoy set up in the Mediterranean sea, near the coast of Toulon, south of France. These recordings were analyzed in the scope of studying sperm whales (Physeter macrocephalus) and the impact anthropic noises may have on this species. With the use of a novel approach, which combines the use of a stereophonic antenna with a neural network, 226 sperm whales’ passages have been automatically detected in an effective range of 32 km. This dataset was then used to analyze the sperm whales’ abundance, the background noise, the influence of the background noise on the acoustic presence, and the animals’ size. The results show that sperm whales are present all year round in groups of 1–9 individuals, especially during the daytime. The estimated density is 1.69 whales/1000 km$$^2$$2. Animals were also less frequent during periods with an increased background noise due to ferries. The animal size distribution revealed the recorded sperm whales were distributed in length from about 7 to 15.5 m, and lonely whales are larger, while groups of two are composed of juvenile and mid-sized animals.
Development of Cu3N electrocatalyst for hydrogen evolution reaction in alkaline medium
Authors: Sajeev Aparna , Paul Aleena Mary , Nivetha Ravi , Gothandapani Kannan , Gopal Tamil Selvi , Jacob George , Muthuramamoorty Muthumareeswaran , Pandiaraj Saravanan , Alodhayb Abdullah , Kim Soo Young , Van Le Quyet , Show Pau Loke , Jeong Soon Kwan , Grace Andrews Nirmala 
Published: February 2022

AbstractA wide variety of electrocatalysts has been evolved for hydrogen evolution reaction (HER) and it is reasonable to carry out HER with low cost electrocatalyst and a good efficiency. In this study, Cu3N was synthesized by nitridation of Cu2O and further utilized as an electrocatalyst towards HER. The developed Cu3N electrocatalyst was tested and results showed a low overpotential and moderate Tafel slope value (overpotential: 149.18 mV and Tafel slope 63.28 mV/dec at 10 mA/cm2) in alkaline medium with a charge transfer resistance value as calculated from electrochemical impendence spectroscopy being 1.44 Ω. Further from the experimental results, it was observed that the reaction kinetics was governed by Volmer–Heyrovsky mechanism. Moreover, Cu3N has shown an improved rate of electron transfer and enhanced accessible active sites, due to its structural properties and electrical conductivity. Thus the overall results show an excellent electrochemical performance, leading to a new pathway for the synthesis of low cost electrocatalyst for energy conversion and storage.
Extensive oceanic mesopelagic habitat use of a migratory continental shark species
Authors: Schaber Matthias , Gastauer Sven , Cisewski Boris , Hielscher Nicole , Janke Michael , Peña Marian , Sakinan Serdar , Thorburn James 
Published: February 2022

AbstractThe identification of movement and behaviour patterns, as well as inter- and intra-population connectivity is crucial in order to implement effective and functional management and conservation measures for threatened migratory species such as tope (Galeorhinus galeus). Yet, previous studies struggled to elucidate clear and consistent movement and depth usage patterns of adult tope in the Northeast Atlantic, suggesting a high plasticity in the migration and behaviour. We deployed pop-up satellite archival tags on adult tope during their seasonal summer aggregations in the inner German Bight of the south-eastern North Sea and near a presumed mating site in southwest Scotland. Depth distribution and migration pathways were derived from time series data with location processing. Four individuals followed migration trajectories leaving coastal areas and crossed the European shelf slope into oceanic areas of the Northeast Atlantic, remaining fully pelagic for the rest of the deployment duration. These sharks showed far-ranging migration trajectories and undertook regular and frequent diel vertical migrations, reaching daytime depths of over 700 m. Vertical migration patterns closely overlapped with biological mesopelagic habitat structures and closely tracked the diel migration of organisms from deep scattering layers derived from hydroacoustic recordings. It is hypothesized that adult tope regularly utilize oceanic habitats, foraging on mesopelagic layers in an environment generally considered of low prey density.
Reconstruction of the transmission dynamics of the first COVID-19 epidemic wave in Thailand
Authors: Wilasang Chaiwat , Jitsuk Natcha C. , Sararat Chayanin , Modchang Charin 
Published: February 2022

AbstractThailand was the first country reporting the first Coronavirus disease 2019 (COVID-19) infected individual outside mainland China. Here we delineated the course of the COVID-19 outbreak together with the timeline of the control measures and public health policies employed by the Thai government during the first wave of the COVID-19 outbreak in Thailand. Based on the comprehensive epidemiological data, we reconstructed the dynamics of COVID-19 transmission in Thailand using a stochastic modeling approach. Our stochastic model incorporated the effects of individual heterogeneity in infectiousness on disease transmission, which allows us to capture relevant features of superspreading events. We found that our model could accurately capture the transmission dynamics of the first COVID-19 epidemic wave in Thailand. The model predicted that at the end of the first wave, the number of cumulative confirmed cases was 3091 (95%CI: 2782–3400). We also estimated the time-varying reproduction number (Rt) during the first epidemic wave. We found that after implementing the nationwide interventions, the Rt in Thailand decreased from the peak value of 5.67 to a value below one in less than one month, indicating that the control measures employed by the Thai government during the first COVID-19 epidemic wave were effective. Finally, the effects of transmission heterogeneity and control measures on the likelihood of outbreak extinction were also investigated.
Fractionation of dicarboxylic acids produced by Rhizopus oryzae using reactive extraction
Authors: Kloetzer Lenuta , Tucaliuc Alexandra , Galaction Anca-Irina , Caşcaval Dan 
Published: February 2022

AbstractFumaric, malic, and succinic acids have been selectively separated from their mixture obtained by Rhizopus oryzae fermentation using reactive extraction with Amberlite LA-2 dissolved in three solvents with different dielectric constants (n-heptane, n-butyl acetate, and dichloromethane). This technique allows recovering preferentially fumaric acid from the mixture, the raffinate containing only malic and succinic acids. The extractant concentration and organic phase polarity control the efficiency and selectivity of acids extraction. The increase of aqueous phase viscosity reduces the extraction yield for all studied acids, but exhibits a positively effect on separation selectivity. By using Amberlite LA-2 concentration equal to that stoichiometrically required for interfacial reaction with fumaric acid and mixing intensity which does not allow higher diffusion rates for larger molecules (malic and succinic acids), the maximum value of fumaric acid extraction rate exceeds 90%, while the selectivity factor value becomes 20. Regardless of the extraction system, the complete separation of fumaric acid from their mixture is possible by multi-stage extraction process, adjusting the extractant concentration in each stage. At higher values of aqueous phase viscosity, more extraction stages are required, while the increase of solvent polarity reduce the required number of stages for total recovery of fumaric acid.
Race and ethnic group dependent space radiation cancer risk predictions
Authors: Cucinotta Francis A. , Saganti Premkumar B. 
Published: February 2022

AbstractFuture space missions by national space agencies and private industry, including space tourism, will include a diverse makeup of crewmembers with extensive variability in age, sex, and race or ethnic groups. The relative risk (RR) model is used to transfer epidemiology data between populations to estimate radiation risks. In the RR model cancer risk is assumed to be proportional to background cancer rates and limited by other causes of death, which are dependent on genetic, environmental and dietary factors that are population dependent. Here we apply the NSCR-2020 model to make the first predictions of age dependent space radiation cancer risks for several U.S. populations, which includes Asian-Pacific Islanders (API), Black, Hispanic (white and black), and White (non-Hispanic) populations. Results suggest that male API and Hispanic populations have the overall lowest cancer risks, while White females have the highest risk. Blacks have similar total cancer rates than Whites, however their reduced life expectancy leads to modestly lower lifetime radiation risks compared to Whites. There are diverse tissue specific cancer risk ranking across sex and race, which include sex specific organ risks, female’s having larger lung, stomach, and urinary-bladder radiation risks, and male’s having larger colon and brain risks.
Airborne microalgal and cyanobacterial diversity and composition during rain events in the southern Baltic Sea region
Authors: Wiśniewska Kinga A. , Śliwińska-Wilczewska Sylwia , Lewandowska Anita U. 
Published: February 2022

AbstractAirborne cyanobacteria and microalgae are commonly found in the atmosphere and may pose a serious human health risk. This study presents an innovative investigation of the washout efficiency of airborne cyanobacteria and microalgae in the Gulf of Gdańsk (southern Baltic Sea). For the first time, the number and type of cyanobacteria and microalgae were determined in rainwater samples and in air before and after rainfall events. The number of cyanobacteria and microalgae cells in the rainwater samples ranged, depending on, e.g., weather conditions, from 100 cells L–1 to 342.2 × 103 cells L–1. Several harmful taxa, such as Chlorococcum sp., Oocystis sp., Anabaena sp., Leptolyngbya sp., Nodularia sp., Pseudanabaena sp., Synechococcus sp., Synechocystis sp., and Gymnodinium sp., were noted in our study. Washing out by rain is extremely relevant to human health and decreases the chance that people inhale these species and their toxic metabolic products. The greatest diversity of airborne microalgae and cyanobacteria was recorded in July 2019, despite this being the period with the lowest number of cells in rainwater samples. Research conducted in the southern Baltic Sea region confirmed the relationship between the occurrence of cyanobacteria and microalgae in the air and blooms in the sea. It is worth emphasizing that the number of microalgae and cyanobacteria cells decreased by up to 87% after a rainfall event relative to that before the rainfall event. The obtained results significantly increase the level of knowledge about cyanobacteria and microalgae present in the air. By demonstrating the washout efficiencies of cyanobacteria and microalgae, the results indicate the potential of individual taxa to be removed from the atmosphere with rainfall. The findings of this study are helpful for further research on airborne microorganisms and air quality.
Record efficiency of 1000 nm electroluminescence from a solution-processable host-free OLED
Authors: Kovalenko Anton , Tcelykh Lyubov O. , Koshelev Daniil , Vashchenko Andrey A. , Tsymbarenko Dmitry M. , Goloveshkin Alexander S. , Aleksandrov Aleksey , Burlov Anatolii , Utochnikova Valentina V. 
Published: February 2022

An efficiency of 441 μW W−1 was obtained using a novel purposefully designed ytterbium complex as a host-free solution processable emission layer in an OLED. The value is the highest to date and was reached due to the increase of the charge mobility.
Throughput maximisation for multi‐channel energy harvesting cognitive radio networks with hybrid overlay/underlay transmission
Authors: Zheng Kechen , Sun Wendi , Liu Xiaoying , Zhao Dongdong , Xu Yang , Liu Jia 
Published: February 2022

AbstractThis paper focuses on the issue of joint time and power allocation in multi‐channel energy harvesting CR networks (EH‐CRNs), where the multi‐antenna secondary transmitter (ST) opportunistically accesses the licensed subchannels by a hybrid overlay/underlay transmission approach. To improve spectrum efficiency and energy efficiency of the EH‐CRNs, the ST scavenges energy from the radio‐frequency signal radiated by the primary transmitter, and exploits the harvested energy for data transmission through subchannels of different states in overlay/underlay mode simultaneously. Moreover, under the interference power constraint, energy constraint, and maximum power constraint, the secondary throughput is improved by optimising the allocation of subchannels, the time scheduling between energy harvesting and data transmission, and the power allocation of the ST among different subchannels. A subchannel allocation scheme with low time complexity is proposed, and the secondary throughput optimisation problem is formulated with respect to the time scheduling and power allocation of the ST. Then it is proved the problem is convex, and the problem is solved by a proposed joint time and power allocation algorithm. Numerical results show that the proposed scheme has an advantage of secondary throughput over the other schemes. Finally, the impacts of key relevant factors on the secondary throughput are explored.
Stable nickel production in type Ia supernovae: A smoking gun for the progenitor mass?
Authors: Blondin S. , Bravo E. , Timmes F. X. , Dessart L. , Hillier D. J. 
Published: February 2022

Context. At present, there are strong indications that white dwarf (WD) stars with masses well below the Chandrasekhar limit (MCh ≈ 1.4 M⊙) contribute a significant fraction of SN Ia progenitors. The relative fraction of stable iron-group elements synthesized in the explosion has been suggested as a possible discriminant between MCh and sub-MCh events. In particular, it is thought that the higher-density ejecta of MCh WDs, which favours the synthesis of stable isotopes of nickel, results in prominent [Ni II] lines in late-time spectra (≳150 d past explosion).
Aims. We study the explosive nucleosynthesis of stable nickel in SNe Ia resulting from MCh and sub-MCh progenitors. We explore the potential for lines of [Ni II] in the optical an near-infrared (at 7378 Å and 1.94 μm) in late-time spectra to serve as a diagnostic of the exploding WD mass.
Methods. We reviewed stable Ni yields across a large variety of published SN Ia models. Using 1D MCh delayed-detonation and sub-MCh detonation models, we studied the synthesis of stable Ni isotopes (in particular, 58Ni) and investigated the formation of [Ni II] lines using non-local thermodynamic equilibrium radiative-transfer simulations with the CMFGEN code.
Results. We confirm that stable Ni production is generally more efficient in MCh explosions at solar metallicity (typically 0.02–0.08 M⊙ for the 58Ni isotope), but we note that the 58Ni yield in sub-MCh events systematically exceeds 0.01 M⊙ for WDs that are more massive than one solar mass. We find that the radiative proton-capture reaction 57Co(p, γ)58Ni is the dominant production mode for 58Ni in both MCh and sub-MCh models, while the α-capture reaction on 54Fe has a negligible impact on the final 58Ni yield. More importantly, we demonstrate that the lack of [Ni II] lines in late-time spectra of sub-MCh events is not always due to an under-abundance of stable Ni; rather, it results from the higher ionization of Ni in the inner ejecta. Conversely, the strong [Ni II] lines predicted in our 1D MCh models are completely suppressed when 56Ni is sufficiently mixed with the innermost layers, which are rich in stable iron-group elements.
Conclusions. [Ni II] lines in late-time SN Ia spectra have a complex dependency on the abundance of stable Ni, which limits their use in distinguishing among MCh and sub-MCh progenitors. However, we argue that a low-luminosity SN Ia displaying strong [Ni II] lines would most likely result from a Chandrasekhar-mass progenitor.
Survival in Cases of Intestinal Tumors
Authors: Santos Maurício Daniel dos , Baldim Marissa Andrade , Neves Francine , Naves Rafaela Rezende do Amaral , Reis Karina Macedo , Ramos Thais Silva , Silvério Alessandra Cristina Pupin , Silva Roberta Bessa Veloso 
Published: February 2022

Abstract
Objective To assess the survival rate of patients with colorectal cancer at Hospital Universitário Alzira Vellano, in the municipality of Alfenas, state of Minas Gerais (MG), Brazil, from 2007 to 2016.
Methodology A search was conducted in the laboratory files and medical records of patients diagnosed with colorectal cancer and cared for during the aforementioned period.
Results In total, 128 cases were found: 52.3% were men, and 47.7% were women, with ages ranging from 25 to 91 years. The most common types of cancer in both genders were of the colon, rectum and sigmoid. The most common stages were T3N1Mx, followed by T3N0Mx and T3N2Mx. Patients with T1 or T2 cancers had a 100% survival rate, whereas the rate for those with grade 4 (T4) was of 0%. An association (p < 0.05) of the location of the tumor with the survival rate was confirmed.
Conclusion There was a high mortality rate among patients diagnosed with colorectal cancer at Hospital Universitário Alzira Vellano from 2007 to 2016.
Mesenteric Lengthening in Pouch Surgery: Review of Surgical Techniques
Authors: Saad Melissa Kyriakos , Fiani Elias , Saikaly Elias 
Published: February 2022

AbstractDescribed for the first time in the medical literature in 1978 by Parks and Nicholls, total proctocolectomy with ileal-pouch anal anastomosis (IPAA) is nowadays the procedure of choice for patients with ulcerative colitis in whom the medical therapy has, a selected group of patients with Crohńs disease, and for patients with familial adenomatous polyposis. Despite the advances in medical treatment regarding inflammatory bowel disease, up to 30% of patients still require surgery, and restorative proctocolectomy and IPAA are the mainstay of the surgical treatment. It is considered a demanding and technically-challenging procedure, with the main challenge being the performance of a tension-free IPAA; the main reason for failure of the tension-free anastomosis is a shortened mesentery. With particular attention to detail, sufficient length can be achieved to enable a safe anastomosis in most patients. Herein, we describe the available techniques to lengthen the mesentery of the ileal pouch to perform an easy-to-reach tension-free anastomosis.