bluuebunny/crossref_metadata_2025_split huggingface dataset:
Theoretical study of Ga-doped magnesium mineral based on the atomic cluster level: gas-phase GaMgn- (n=2-12) DFT investigation
Authors: Li Yu-Jin , Hao Yu-Jie , Jiang Ke , Zeng Lu , Sun Feng-Yu 
Published: June 2022

Abstract
The geometrical structure, electronic structure and chemical bond properties of the gas-phase GaMg n - (n=2-12) clusters were studied utilizing CALYPSO software as well as density functional theory (DFT). It is shown that tetrahedral-like and pyramidal-like structures are the two "seeds" for GaMg n - (n=2-12) clusters growth. Relative stability calculations indicate that GaMg 8 - cluster possesses the most robust stability and is a reasonable candidate for the "magic" cluster. NCP calculations confirm that Ga and Mg atoms play the roles of receiving and losing electrons, respectively.NEC analysis further yields that valence orbital electron transfer is s→p. ELF analysis shows that Mg-Mg covalent bonds start to appear in GaMg 2 - size, which is much earlier than in other "heavy" metal-doped magnesium. For the most stable GaMg 8 - cluster, UV-Vis, IR and Raman spectroscopic predictions were also performed specifically, and the excited state properties of this cluster were investigated by the hole-electron method and NTO.
Estimating WUI exposure probability to a nearby wildfire
Authors: Wei Yu , Gannon Benjamin , Young Jesse , Belval Erin , Thompson Matthew P , O’Connor Christopher , Calkin Dave E 
Published: June 2022

Abstract
Background
Estimating the factors affecting the risk of wildfire reaching the wildland urban interface (WUI) can help managers make decisions to prevent WUI property loss. This study compiles data on fire progression, wind, landscape characteristics, and fireline construction to estimate the probability of an on-going fire front reaching each of its nearby WUI blocks. We start by constructing fire and WUI interaction zones and fire spread funnels between recorded fire fronts and WUI blocks. We used the funnel analysis to characterize landscape and fireline arrangement, and a random forest modeling approach to quantify the probability for fire reaching the WUI.
Results
We found that WUI exposure probability to an ongoing fire has close relationships with the tested explanatory variables including wind gust, suppression difficulty, control potential, fireline arrangement, road densities, WUI block sizes, and the relative locations between WUI and fires. We found a random forest model can achieve reasonable accuracy in estimating the WUI fire exposure probability.
Conclusions
The focal analysis we developed based on fire spread funnels and random forest models can be used to estimate WUI fire exposure probability. This approach may be used to support large fire suppression decisions at division to incident scale.
Developing and Evaluation of an Electronic Educational Program about Palliative Care for Healthcare Workers in Syria
Authors: alhalabieh nahawand , Dashash Mayssoon , Chatty Eyad 
Published: June 2022

Abstract
Purpose: The e-learning systems act as a powerful aid to traditional teaching to provide high-quality education. E-learning can improve the effectiveness of medical education by transferring knowledge easily. There is neither a virtual nor traditional educational program on palliative care in Syria. E-learning can improve medical education in Syria by transferring primary knowledge of palliative care to healthcare workers. This study aimed to develop an electronic educational program about palliative care basics. Methods: A nonprobability convenience sample of (19) Syrian healthcare workers was included. The General Model for Instructional Design (ADDIE) was used in developing the electronic educational program. The program's effectiveness was measured by using the valid Palliative Care Knowledge Test. The test was translated into Arabic. One-Group Pretest-Posttest design was adopted. A comparison between pre-test and post-test after the sample attended an electronic educational program on palliative care was conducted and its effect was measured. Results: The mean score of the sample in the pre-test about knowledge of the basics of palliative care was (59.74%), while mean score of the sample in the post-test was (98.94%), meaning that the level of knowledge increased by (39.21) after the intervention, where the effect was (0.97). Conclusion: There is a lack of primary knowledge of palliative care basics among the studied sample. The described program provides an innovative learning strategy on the basics of palliative care delivered in an asynchronous online format. E-programs are effective in transferring knowledge of palliative care.
Gating effects of membrane potential on TMEM16A analyzed using molecular dynamics simulations combined with external electric field
Authors: Ji Wanying , Gao Zhiwei , Geng Yizhao , Geng JinPeng , Chen Yafei , Pang chunli , An Hailong 
Published: June 2022

Abstract
TMEM16A is the molecular basis of calcium-activated chloride channels (CaCCs) and is dual regulated by intracellular calcium ion and membrane potential. It is widely expressed and participates in important physiological processes. At present, although the cryo-EM structures of several states of TMEM16A protein are obtained, none of them shows a fully activated pore, and the role of membrane potential in regulation of the channel cannot be explained in these static structures. Here, based on the stereo structure of TMEM16A we used molecular dynamics (MD)with applied external electric field (EE-MD) simulations to understand how membrane potential regulates the gating process of TMEM16A channels. Our results indicate that the transmembrane helices TM3 and TM4, which constitute the ion-conducting pore, are strongly influenced by the membrane potential and expand outward, resulting in a clear separation of the hydrophobic-gated amino acids of TM4 and TM6, increasing the space for chloride ions (Cl−) to pass through. The membrane potential breaks the hydrogen bond between K645 and E705, directing the K645 side chain to the neck region, which lowers the energy barrier for chloride ion conduction by affecting the static electricity in the neck region. Furthermore, the simulation results indicate that the dual coupling of calcium ions and membrane potential can lead to the spontaneous diffusion of Cl− ions from the extracellular side through the pore. Our molecular dynamics simulations and analyses provide new dynamic, and energetic information of the gating mechanism by which membrane potential affects TMEM16A channels and to guide functional studies of the TMEM16A channels and development of its regulators.
Network Intrusion Detection Based on Explainable Artificial Intelligence
Authors: Wang Yiwen , Xu Lei , Liu Wanli , Li Rongzhen , Gu Junjie 
Published: June 2022

Abstract
People often use similar methods to invade network traffic, such as flood attacks and Ddos attacks. Early detection of malicious traffic usually uses manual filtering to establish a whitelist, and then uses some artificial intelligence to simply measure some characteristic parameters. The high predictive performance of artificial intelligence will inevitably introduce unknowable decision process into network intrusion detection. When it is applied to the extremely important network environment, human’s doubt on its black box effect will hinder its advancement. Here, we make a propose to come up with a network traffic intrusion detection method (XAI-IDS) on account of interpretable artificial intelligence to detect malicious traffic intrusion in networks. XAI-IDS analyzes network traffic data to predict whether the traffic is malicious intrusion.
Agricultural Land Suitability Assessment towards Promoting Community Crop Production in Tolon-Ghana
Authors: Antwi Effah Kwabena , Setiawati Martiwi Diah , Tetteh Jacob Doku , Boakye-Danquah John , Owusu-Banahene Wiafe , (Apronti) Priscilla Toloo Yohuno 
Published: June 2022

Abstract
Continuous use of agricultural land without periodic assessment of its suitability or performance for the cultivation of a specific crop could degrade soil fertility and compromise the long-term sustainability of the land to support production. Our aim is to use an integrated approach to assess agricultural land suitability in a small-scale farming system in the semi-arid region of northern Ghana, identify limiting factors for optimum crop production, and recommend intervention options towards sustainable farm management. We developed a data-driven model for land suitability analysis based on the Generalized Additive Models (GAM) approach. We validated the model with the actual yield data for six food crops (maize, pepper, yam, rice, peanut, and cowpea) under various biological, physical and chemical soil conditions across six communities. The result showed that the farmlands across the communities were highly suitable for maize and pepper but not suitable for cowpea. A qualitative validation method based on the contingency table showed the accuracy percentage of 84–100% for POD (Probability of Detection) and 6–21% for FAR (False alarm ratio) for all crops type. Hence, our model could be considered excellent to predict land suitability for different crop types. We recommend that stakeholders in the agricultural value chain should collaborate to develop low-cost and effective means of helping farmers determine the suitability of soils for specific crops to ensure that farmlands are not of depleted nutrients. In addition, periodic farmer training on appropriate farm management practices, including the right use of fertilizers, is needed.
CsAKT1 is a key gene for CeO2 nanoparticles improved cucumber salt tolerance: a validation from CRISPR-Cas9 lines
Authors: Peng Yuquan , Chen Linlin , Zhu Lan , Cui Lvjun , Yang Li , Wu Honghong , Bie Zhilong 
Published: June 2022

Abstract
Background
Salinity is one of the main factors limiting crop growth and yield. Applications of nanomaterials such as cerium oxide nanoparticles (nanoceria) improved salt tolerance in many plant species. The known mechanisms of nano-improved crop salt tolerance are mostly at the physiological and hormonal but not the gene level. Lack of proper methods to precisely investigate the key genes involved in nano-improved crop salt tolerance is one of the main reasons.
Results
We found that both leaf and root application of PNC (poly acrylic acid coated nanoceria) improved cucumber salt tolerance, showing higher shoot and root dry weight, and better photosynthetic performance than control plants. Under salinity stress, PNC treated cucumber plants showed significant lower malondialdehyde (MDA) content of leaf (46.7% and 13.3% for leaf and root application of PNC, respectively) and root (31.4% and 19.9% for leaf and root application of PNC, respectively), and reactive oxygen species (ROS) level such as H2O2 content of leaf (46.6% and 22.0% for leaf and root application of PNC, respectively) and root (50.0% and 29.9% for leaf and root application of PNC, respectively). Further experiments showed that under salinity stress, compared with control plants, PNC treated cucumber plants had significant higher leaf (216.1% and 59.5% for leaf and root application of PNC, respectively) and root (148.2% and 71.8% for leaf and root application of PNC, respectively) K+ content. RNA seq showed that under salinity stress, the modulation on AKT1 is more responsible for the PNC improved K+ maintenance in cucumber. Further, CsAKT1 depletion experiment (CRISPR-Cas9 lines) confirmed that under salinity stress, CsAKT1 plays an important role in potassium uptake in cucumber plants treated with PNC.
Conclusions
Our results showed that foliar PNC delivery enabled stronger cucumber salt tolerance than the root application is associated with the better maintained K+/Na+ ratio. CRISPR-Cas9 lines further confirmed that CsAKT1 is a key gene involved in PNC-improved cucumber salt tolerance. Our work not only adds more knowledge to the mechanisms underlying nano-improved plant salt tolerance, but also suggests a CRISPR-Cas9 approach to study the key genes involved in it.
The Off-Hour Effect on Mortality in Traumatic Brain Injury According to Age Group
Authors: jung eujene , ryu Hyun ho 
Published: June 2022

Abstract
BackgroundTraumatic brain injury (TBI) is a time-sensitive and life-threatening surgical emergency. We hypothesized that off-hours, which includes night-time, weekends, and holidays, may influence mortality in TBI. Our study aimed to evaluate if the off-hours effect influences mortality in patients with TBI and whether this effect is dependent on the age group. MethodsThis study included patients who experienced TBI and were admitted to Chonnam National University Hospital (CNUH) between 2017 to 2020. The main exposure was arrival time at the emergency department (ED) (off-hours vs. working hours). The main outcome was mortality at hospital discharge. Multivariable logistic regression analysis was conducted to estimate the effect size of off-hours on mortality compared to that of working hours. We performed an interaction analysis between ED admission time and age group on study outcomes. ResultsIn the multivariable logistic regression analysis, there was no significant difference in mortality (AOR, 95% CI (1.05 [0.58—1.89]) in patients visiting the ED during off-hours. In the interaction analysis, the effect measure of ED admission during off-hours on mortality was significant among younger people (0—17 years (1.17 [1.04—1.30])), compared to that in other age groups. ConclusionsIn patients under 18 years old, admission during off-hours was associated with higher mortality at hospital discharge compared to admission during working-hours in patients with TBI with intracranial hemorrhage. EDs should be designed such that the same quality of emergency care is provided regardless of admission time.
Design and performance study of grease spoolless relief valve
Authors: Gong Guoqing , Wang Youmin , Zhou Bin 
Published: June 2022

Abstract
The high resistance characteristic of the grease delivery process makes the centralized lubrication system easy to cause pipeline blockage during the grease supply process. The main objective of the present article is to design a non-spool relief valve device based on the round pipe. The plug shape characteristics of the grease flow in the tube are established by combining the hydrodynamic equation and the grease rheological model. The mathematical model, whose relationship between velocity and flow is derived, is established with the core pipe of the grease sporeless relief valve of flow resistance, so the factors affecting grease pipe flow are obtained. The numerical simulation method is used to simulate the lipid overflow process of the simplified model with different influence parameters. Tecplot 360 EX 2015 R1 is used as a post-processing software to derive velocity and pressure clouds for grease flow in a circular tube, to investigate the factors influencing the relief pressure and relief capacity of the relief valve, to derive general rules for grease relief pressure, grease relief capacity and grease flow pattern distribution, and to establish an evaluation model for the relief pressure and relief capacity of the relief valve. The performance research test platform of the grease sporeless relief valve is built, and NLGI1 lithium grease is selected to carry out the experimental study on the performance of the grease relief valve under different influence parameters. The safety, stability, and feasibility of the overflow valve working with the pumping system are verified.
Is Surgical Pancreatic Necrosectomy Becoming Obsolete? ACS-NSQIP Trends and Predictors of Complications and Mortality
Authors: Liepert Amy Erna , Ventro George J , Weaver Jessica Lee , Berndtson Allison Elizabeth , Godat Laura Nadine , Adams Laura M , Santorelli Jarrett E , Costantini Todd Wilson , Doucet Jay Joseph 
Published: June 2022

Abstract
Background
Surgical pancreatic necrosectomy (SPN) is an option for management of severe acute pancreatitis. Literature indicates that an escalating, combined endoscopic, interventional radiology and minimally invasive surgery “Step-up” approach such as Video-Assisted Retroperitoneal Debridement (VARD) may reduce the number of required SPNs and ICU complications such as multiple organ failure. We sought to determine temporal trends for rates of SPN, and SPN-related mortality and complications.
Methods
The American College of Surgeons National Surgery Quality Improvement Program database (ACS-NSQIP) was used to find SPN cases from 2007–2019 in ACS-NSQIP submitting hospitals. Mortality and Clavien-Dindo class 4 (CD4) ICU complications were collected. Predictors of outcomes were identified by univariate and multivariate analyses.
Results
There were 2457 SPN cases. SPN cases decreased from 0.09% of records in 2007 to 0.01% in 2019 (p < 0.001). Overall mortality was 8.5% and did not decrease with time. CD4 complications decreased from 40–27% (p < 0.001). There was a 65% reduction in SPN cases requiring a return to the operating room. Multivariate predictors of complications were emergency general surgery (EGS, p < 0.001), serum albumin (p < 0.0001) and modified Frailty Index (mFI) (p < 0.0001). Multivariate predictors of mortality were EGS (p < 0.0001), serum albumin (p < 0.0001), and mFI (p < 0.04). mFI decreased after 2010 (p < 0.001).
Conclusion
SPNs decreased after 2010, with decreasing CD4 complications, decreasing reoperation rates and stable mortality rates, likely indicating broad adoption of a “Step-up” approach. Larger, prospective studies to compare indications and outcomes for SPN are warranted.
Evaluation of the impact of probiotics usage in aquaculture: A systematic review
Authors: Henry David Elisha , Basavaiah Renuka 
Published: June 2022

Abstract
In aquaculture, probiotics are widely used for preventing the diseases. Probiotics are live beneficial bacteria that are ingested into the gastrointestinal tract through food or water or any dietary supplement to boost immunity and internal microbial resistance. Several experimental studies have been undertaken on the effect of probiotics on the immune system of diverse aquatic animals, as well as the mechanism involved to control the harmful pathogens. As a result, the current study aims to conduct a systematic review to update the findings related to specific immunological markers. Relevant studies from PubMed, EMBASE, and Google Scholar were systematically searched until the latest issue. Experimental studies written in the English language were included in the review. The main outcome was to identify the insightful outcome about the impact of probiotics. Systemic review was performed for 12 studies. The SYRCL’S risk of bias tool for the animal study was also used to evaluate the quality of the included studies. In conclusion, the results of the current review study summarize that probiotic could boost the immune system of aquatic animals by increasing plasma immunoglobulin, cytokines, plasma lysozyme, respiratory burst, peroxidase, phagocytosis, and alternative complement activities.
Synthesis and Biological Evaluation of Thiosemicarbazone Derivatives
Authors: Gürdere Meliha Burcu , Doğan Murat , Koçyiğit Ümit M. , Ceylan Mustafa , Budak Yakup 
Published: June 2022

Abstract
In this study, firstly, 22 thiosemicarbazone derivatives (3a-y) were synthesized. Then, ADME parameters, pharmacokinetic properties, drug-like structures, and suitability for medicinal chemistry of these molecules were studied theoretically by using SwissADME and admetSAR programs. According to the results of these theoretical studies, it can be said that the bioavailability and bioactivity of these compounds may be high. In silico molecular docking between ligands (thiosemicarbazone derivatives) and targeted proteins (protein-78 (GRP78) for C6 and quinone reductase-2 (4ZVM for MCF 7) was analyzed using Hex 8.0.0 docking software. According to the docking data, almost all molecules had higher negative E values than Imatinib (already used as drug). For this, in vitro anticancer studies of these molecules were done. The cytotoxic activities of thiosemicarbazone derivatives (3a-y) were evaluated on C6 glioma and MCF7 breast cancer cell lines at 24 hours, and Imatinib was used as positive control. According to the results of cytotoxicity assay, it can be said that the five compounds (3b, c, f, g and m with IC50 = 10.59–9.08; Imatinib IC50 = 11.68) showed more potent cytotoxic activity than Imatinib on C6 cell line. Together with to these results ten compounds (3b, d, f, g, I, k, l, m, n and r with IC50 = 7.02–9.08; Imatinib IC50 = 9.24) had more effective cytotoxic activity against MCF7 cell line than Imatinib. Compound 3m showed the highest antiproliferative effect against C6 and MCF7 cell lines.
Control of Monomeric Vo’s vs. Vo clusters in ZrO2-x for Solar-Light H2 Production from H2O at High-Yield [millimoles gr-1 h-1]
Authors: Deligiannakis Yiannis , Mantzanis Asterios , Zindrou Areti , Smykala Szymon , Solakidou Maria 
Published: June 2022

Abstract
Pristine zirconia, ZrO2, possesses high premise as photocatalyst due to its conduction band energy edge. However, its high energy-gap is prohibitive for photoactivation by solar-light. Currently, it is unclear how solar-active zirconia can be designed to meet the requirements for high photocatalytic performance. Moreover, transferring this design to an industrial-scale process is a forward-looking route. Herein, we have developed a novel Flame Spray Pyrolysis (FSP) process for generating solar-light active nano-ZrO2-x via engineering of lattice vacancies, Vo. Using solar photons, our optimal nano-ZrO2-x can achieve milestone H2-production yield, >2400 μmolg-1h-1 (closest thus, so far, to high photocatalytic water splitting performance benchmarks). Visible light can be also exploited by nano-ZrO2-x at a high yield via a two-photon process. Control of monomeric Vo vs. clusters of Vo’s is the key parameter toward Highly-Performing-Photocatalytic ZrO2-x. Thus, the reusable and sustainable ZrO2-x catalyst achieves so far unattainable solar activated photocatalysis, under large scale production.
Open-Source Workflow Design and Management Software to Interrogate Duckweed Growth Conditions and Stress Responses
Authors: Scott Madeline , de Lange Orlando , Quaranto Xavaar Chayton , Cardiff Ryan , Klavins Eric 
Published: June 2022

Abstract
Duckweeds, a group of floating aquatic plants, are ideal model plants for laboratory experiments because they are small, easy to cultivate, and reproduce quickly. Duckweed laboratory biology, however, requires that lineages are maintained as continuous populations of asexually propagating fronds, so research teams need to calibrate cultivation conditions and coordinate maintenance tasks for duckweed stocks. Computational image data analysis is proving a powerful duckweed research tool, but researchers lack software tools to assist with data collection and storage in a way that can feed into scripted data analysis. We set out to support these processes — cultivation, and subsequent integration with data analysis tools — using a laboratory management software called Aquarium, an open-source application developed to manage laboratory inventory and plan experiments. We developed a suite of duckweed cultivation and experimentation operation types in Aquarium, which we then integrated with novel data analysis scripts. We then demonstrated the efficacy of our system with a series of image-based growth assays, and explored how our framework could be used to calibrate cultivation protocols. We discuss the unexpected advantages and the limitations of this approach, suggesting areas for future software tool development. In its current state, our approach helps to bridge the gap between laboratory implementation and data analytical software for duckweed biologists and builds a foundation for future development of end-to-end computational tools in plant science.