bluuebunny/crossref_metadata_2025_split huggingface dataset:
Autonomous Detection of Plant Disease Symptoms Directly from Aerial Imagery
Authors: Wu Harvey , Wiesner‐Hanks Tyr , Stewart Ethan L. , DeChant Chad , Kaczmar Nicholas , Gore Michael A. , Nelson Rebecca J. , Lipson Hod 
Published: November 2019

Core Ideas
A deep learning model identified plant disease in UAV images with 95% accuracy.
Transfer learning allowed for faster model optimization.
This method detected plant disease symptoms at a very fine spatial scale.
The detection, diagnosis and quantification of plant diseases using digital technologies is an important research frontier. New and accurate methods would be an asset to growers, for whom early disease detection can mean the difference between successful intervention and massive losses, and plant breeders, who often must rely on time‐consuming phenotyping by eye. We have developed such a method for detecting an important maize (Zea mays L.) disease. Northern leaf blight [NLB; causal agent Setosphaeria turcica (Luttrell) Leonard & Suggs] is a foliar disease of maize that causes significant yield losses. Accurately measuring NLB infection is necessary both for breeding more resistant maize lines and for guiding crop management decisions. Visual disease scoring in a large area is time‐consuming and human evaluations are subjective and prone to error. In this work, we demonstrate an automated, high‐throughput system for the detection of NLB in field images of maize plants. Through the use of an unmanned aerial vehicle (UAV) to acquire high resolution images, we trained a convolutional neural network (CNN) model on lower resolution sub‐images, achieving 95.1% accuracy on a separate test set of sub‐images. The CNN model was used to create interpretable heat maps of the original images, indicating the locations of putative lesions. Detecting lesions at a fine spatial scale allows for the potential of unprecedented high‐resolution disease detection for plant breeding and crop management strategies.
Development and Uncertainty Assessment of Pedotransfer Functions for Predicting Water Contents at Specific Pressure Heads
Authors: Kotlar Ali Mehmandoost , de Jong van Lier Quirijn , Barros Alexandre Hugo C. , Iversen Bo V. , Vereecken Harry 
Published: November 2019

Core Ideas
PTFs for water contents at specific pressure heads were developed.
Covariate shift increased uncertainty in PTF predictions.
Relative importance of predictors in machine learning PTFs was determined.
There has been much effort to improve the performance of pedotransfer functions (PTFs) using intelligent algorithms, but the issue of covariate shift, i.e., different probability distributions in training and testing datasets, and its impact on prediction uncertainty of PTFs has been rarely addressed. The common practice in PTF generation is to randomly separate the dataset into training and testing subsets, and the outcomes of this random selection may be different if the process is subject to covariate shift. We evaluated the impact of covariate shift generated by data shuffling and detected by Kolmogorov–Smirnov test for the prediction of water contents using soil databases from Denmark and Brazil. The soil water contents at different pressure heads were predicted by developing linear and stepwise regression besides machine learning based PTFs including Gaussian process regression and ensemble method. Regression based PTFs for the Brazilian dataset resulted in better predictions compared with machine learning methods, which in their turn estimated high water contents in Danish soils more accurately. One hundred PTFs were developed for water content at specific pressure heads by data shuffling. From these, 100 sets of fitted van Genuchten parameters were obtained representing the generated uncertainty. Data shuffling led to covariate shift, resulting in uncertainty in water content prediction by the PTFs. Inherent variability of data may lead to increased prediction uncertainty. For correlated data, simple regression models performed as good as sophisticated machine learning methods. Using PTF‐predicted water contents for van Genuchten retention parameter fitting may lead to a high uncertainty.
Siwaqaite, Ca6Al2(CrO4)3(OH)12·26H2O, a new mineral of the ettringite group from the pyrometamorphic Daba-Siwaqa complex, Jordan
Authors: Juroszek Rafał , Krüger Biljana , Galuskina Irina , Krüger Hannes , Vapnik Yevgeny , Galuskin Evgeny 
Published: November 2019

Abstract
A new mineral, siwaqaite, ideally Ca6Al2(CrO4)3(OH)12·26H2O [P31c, Z = 2, a = 11.3640(2) Å, c = 21.4485(2) Å, V = 2398.78(9) Å3], a member of the ettringite group, was discovered in thin veins and small cavities within the spurrite marble at the North Siwaqa complex, Lisdan-Siwaqa Fault, Hashem region, Jordan. This complex belongs to the widespread pyrometamorphic rock of the Hatrurim Complex. The spurrite marble is mainly composed of calcite, fluorapatite, and brownmillerite. Siwaqaite occurs with calcite and minerals of the baryte-hashemite series. It forms hexagonal prismatic crystals up to 250 μm in size, but most common are grain aggregates. Siwaqaite exhibits a canary yellow color and a yellowish-gray streak. The mineral is transparent and has a vitreous luster. It shows perfect cleavage on (1010). Parting or twinning is not observed. The calculated density of siwaqaite is 1.819 g/cm3. Siwaqaite is optically uniaxial (–) with ω = 1.512(2), ε = 1.502(2) (589 nm), and non-pleochroic. The empirical formula of the holotype siwaqaite calculated on the basis of 8 framework cations and 26 water molecules is Ca6.01(Al1.87Si0.12)Σ1.99[(CrO4)1.71(SO4)1.13(SeO4)0.40]Σ3.24(OH)11.63·26H2O. X-ray diffraction (XRD), Raman, and infrared spectroscopy confirm the presence of OH- groups and H2O molecules and absence of (CO3)2– groups. The crystal structure of this Cr6+-analog of ettringite was solved by direct methods using single-crystal synchrotron XRD data. The structure was refined to an agreement index R1 = 4.54%. The crystal structure of siwaqaite consists of {Ca6[Al(OH)6]2·24H2O}6+ columns with the inter-column space (channels) occupied by (CrO4)2–, (SO4)2–, (SeO4)2–, and (SO3)2– groups and H2O molecules. The tetrahedrally coordinated site occupied by different anion groups is subjected to disordering and rotation of these tetrahedra within the structure. The temperature of siwaqaite formation is not higher than~70–80 °C, as is evident from the mineral association and as inferred from the formation conditions of the natural and synthetic members of the ettringite group minerals, which are stable at conditions of T &lt; 120 °C and pH = 9.5–13. The name siwaqaite is derived from the name of the holotype locality—Siwaqa area, where the mineral was found.
Emergency measure of soft isolation controlling pollution diffusion response to sudden water pollution accidents
Authors: Pan Fanghui , Wang Youbao , Zhang Xinxi 
Published: November 2019

Abstract
The frequent occurrence of sudden water pollution accidents has become a major threat to water environment safety. Although most researches have focused on constructing a pollutant source identification model and risk assessment methods for dealing with sudden water pollution accidents, a real-time, effective emergency measure for controlling pollutant diffusion, isolating and removing the pollutant, aiming at sudden water pollution accidents, has not been emphasized. Therefore, in this paper, a novel emergency approach of soft isolation was investigated to control pollution diffusion and decrease damage as soon as the accident occurred. In stage 1, the feature of pollution diffusion regarding a sudden water accident was predicted through a water quality model using computational fluid dynamics (CFD). Then, a design scheme of soft isolation was constructed in stage 2 to isolate the polluted zone and attention was paid to optimizing the parameters of soft isolation. Ultimately, the mathematical model of complete purification was formulated in stage 3 to remove the pollution from the impacted zone. The results indicated that the emergency measure of soft isolation could have significant potential to control and isolate pollution occurring in a sudden water pollution accident in the future.
Preparation of hydroxyapatite-based porous materials for absorption of lead ions
Authors: Wang Zejun , Sun Kangqi , He Yufeng , Song Pengfei , Zhang Dawei , Wang Rongmin 
Published: November 2019

Abstract
In this paper, soybean protein isolate (SPI) was used as template, hydroxyapatite was crystallized on protein chains of SPI by in-situ synthesis, then the obtained inorganic HA/biopolymer SPI composite (HA@SPI) was calcined at suitable temperature, which afforded a novel hydroxyapatite-based porous materials (HApM). The results indicated that the product showed a porous morphology structure and excellent absorption performance for Pb2+. HApM maximum removal of lead was attained (96.25%) at an initial pH value of 7.4, temperature of 25 °C and contact time of 30 min with an initial metal concentration of 60 mg/L. In order to identify composition, structure and functional groups involved in the uptake of Pb2+, Fourier transform infrared spectrometer (FTIR), thermogravimetric analysis (TG), X-ray diffraction (XRD) scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS), and Brunauer–Emmett–Teller (BET) analysis were carried out. Therefore, the hydroxyapatite-based porous materials (HApM) is a promising candidate for the treatment of liquid wastes containing toxic Pb2+ metal ion, heavy metal ion antidotes and other related fields.
A Study of the Mechanism of Binding between Neratinib and MAD2L1 Based on Molecular Simulation and Multi-spectroscopy Methods
Authors: Zhou Guangya , Zhao Manman , Liang Ruirui , Xie Jiayang , Chen Xinyi , Chen Qin , Zheng Linfeng , Cao Xin , Niu Bing 
Published: November 2019

Background:
Nilatinib is an irreversible tyrosine kinase inhibitor, which is used in the
treatment of some kinds of cancer. To study the interaction between Neratinib and MAD2L1, a potential
tumor target, is of guiding significance for enriching the medicinal value of Neratinib.

Method:
The binding mechanism between Mitotic arrest deficient 2-like protein 1 (MAD2L1) and
Neratinib under simulative physiological conditions was investigated by molecule simulation and
multi-spectroscopy approaches.

Results:
Molecular docking showed the most possible binding mode of Neratinib-MAD2L1 and the
potential binding sites and interaction forces of the interaction between MAD2L1 and Neratinib.
Fluorescence spectroscopy experiments manifested that Neratinib could interact with MAD2L1 and
form a complex by hydrogen bond and van der Waals interaction. These results were consistent with
the conclusions obtained from molecular docking. In addition, according to Synchronous fluorescence
and three-dimensional fluorescence results, Neratinib might lead to the conformational change
of MAD2L1, which may affect the biological functions of MAD2L1.

Conclusion:
This study indicated that Neratinib could interact with MAD2L1 and lead to the conformational
change of MAD2L1. These works provide helpful insights for the further study of biological
function of MAD2L1 and novel pharmacological utility of Neratinib.
Clustering and Sampling of the c-Met Conformational Space: A Computational Drug Discovery Study
Authors: Mashayekh Korosh , Sharifi Shahrzad , Damghani Tahereh , Elyasi Maryam , Avestan Mohammad S. , Pirhadi Somayeh 
Published: November 2019

Background:
c-Met kinase plays a critical role in a myriad of human cancers, and a
massive scientific work was devoted to design more potent inhibitors.

Objective:
In this study, 16 molecular dynamics simulations of different complexes of potent c-Met
inhibitors with U-shaped binding mode were carried out regarding the dynamic ensembles to
design novel potent inhibitors.

Methods:
A cluster analysis was performed, and the most representative frame of each complex
was subjected to the structure-based pharmacophore screening. The GOLD docking program
investigated the interaction energy and pattern of output hits from the virtual screening. The most
promising hits with the highest scoring values that showed critical interactions with c-Met were
presented for ADME/Tox analysis.

Results:
The screening yielded 45,324 hits that all of them were subjected to the docking studies
and 10 of them with the highest-scoring values having diverse structures were presented for
ADME/Tox analyses.

Conclusion:
The results indicated that all the hits shared critical Pi-Pi stacked and hydrogen bond
interactions with Tyr1230 and Met1160 respectively.
Synthesis of 2-Substituted 4-Arylidene-5(4H)-oxazolones as Potential Cytotoxic Agents in the Presence of Lemon Juice as a Biocatalyst
Authors: Prasad Malavattu G. , Lakshmi Chapala V. , Katari Naresh K. , Anand Krishnan , Pal Manojit , Jonnalagadda Sreekantha B. 
Published: November 2019

Background:
The oxazolone class of compounds is known to exert a profound effect on
malignant cell proliferation, tumor angiogenesis and /or on the established neoplastic vasculature.
Additionally, these compounds are generally known to have a low tendency to interact with DNA
which is not common with most of the conventional cytotoxic agents. Thus, this class of compounds is
of particular interest for the discovery and development of patient-friendly anticancer agents.

Objective:
The initial objective of this study was to synthesize and evaluate 2-substituted 4-arylidene-
5(4H)-oxazolones for their potential anticancer properties.

Methods:
A simple, mild and non-hazardous synthetic methodology has been developed for the
preparation of 2-substituted 4-arylidene-5(4H)-oxazolones. The methodology involved lemon juice
mediated condensation of N-acyl glycine derivatives including hippuric acid with arylaldehydes in
PEG-400 under ultrasound irradiation. All the synthesized compounds were screened via an MTT
assay for their potential cytotoxic properties in vitro using the cancerous cell lines e.g. K562 (human
chronic myeloid leukemia), Colo-205 (human colon carcinoma), and A549 (human lung carcinoma)
and a non-cancerous HEK293 (human embryonic kidney) cell line.

Results:
Compounds 3a, 3c and 3i showed promising growth inhibition against A549 cell line but no
significant effects on HEK293 cell line, indicating their selectivity towards cancer cells. Moreover,
their IC50 values suggested that all these compounds were comparable to the reference drug
doxorubicin indicating their potential against lung cancer.

Conclusion:
he 4-arylidene-5(4H)-oxazolone framework presented here could be a new template for
the design and discovery of potential anticancer agents especially for lung cancer.
Synthesis, Characterization, Antioxidant Activity of β-diketonates, and Effects of Coordination to Copper(II) Ion on their Activity: DNA, BSA Interactions and Molecular Docking Study
Authors: Joksimović Nenad , Petronijević Jelena , Janković Nenad , Kosanić Marijana , Milivojević Dušan , Vraneš Milan , Tot Aleksandar , Bugarčić Zorica 
Published: November 2019

Background:
In order to make some progress in discovering the more effective way to
eliminate ROS which cause the oxidative stress in organism in humans and bearing in mind the
fact that ethyl-2-hydroxy-4-aryl(alkyl)-4-oxo-2-butenoates (β-diketonates) belong to a class of biologically
active compounds, series of β-diketonates were synthesized, characterized, and tested to
evaluate there antioxidant activity. Further, to investigate how coordination to copper(II) ion affects
the activity of β-diketonates, appropriate complexes were synthesized and characterized.

Methods:
All complexes were characterized by UV-Vis, IR, and EPR spectroscopy, MS spectrometry,
and elemental analysis. Fluorescence spectroscopic method was used for investigations of the
interactions between biomacromolecules (DNA or BSA) and compound 2E. Viscosity measurements
and molecular docking study were performed to confirm the mode of interactions between
DNA and BSA and compound 2E.

Results:
Scavenging activity on DPPH radical revealed that compounds 2A, 2B, and 2E possess
largest free radical scavenging, comparable to standard while results of superoxide anion scavenging
activities of tested samples showed that maximum scavenging activity (IC50=168.92 μg/mL)
was found for 2E, very similar to standard ascorbic acid, followed by 2B and 2G. Results of the
interactions between biomacromolecules and 2E indicated that 2E has the affinity to displace EB
from the EB-DNA complex through intercalation [Ksv = (3.7 ± 0.1) × 103 M-1], while Ka value obtained
via titration of BSA with 2E [Ka = (4.2 ± 0.2) × 105 M-1], support the fact that the significant
amount of the drug could be transported and distributed through the cells.

Conclusions:
All β-diketonates exhibited better scavenging activities than their corresponding copper
complexes. Among all the tested compounds, 2E gave the highest reducing power, even higher
than standard ascorbic acid, while reducing power for compounds 2A and 2B was also good but
lower than standard. DNA and BSA binding study for 2E showed that this compound has the potential
to be used as medicament.
Molecular Docking Study, Cytotoxicity, Cell Cycle Arrest and Apoptotic Induction of Novel Chalcones Incorporating Thiadiazolyl Isoquinoline in Cervical Cancer
Authors: Tantawy Mohamed A. , Sroor Farid M. , Mohamed Magda F. , El-Naggar Mostafa E. , Saleh Fatma M. , Hassaneen Hamdi M. , Abdelhamid Ismail A. 
Published: November 2019

Background:
Chalcones are naturally occurring compounds found in various plant species which are
widely used for the traditional popular treatments. Chalcones are distinguished secondary metabolites that are
reported to display diverse biological activities such as antiviral, antiplatelet, anti-inflammatory, anticancer,
antibacterial and antioxidant agents. The presence of a,ß-unsaturated carbonyl group in chalcones is assumed to
be responsible for their bioactivity. In addition, heterocyclic compounds having nitrogen such as isoquinolines
are of considerable interest as they constitute the core structural element of many alkaloids that have enormous
pharmacological activities.

Objective:
The objective of this study is the synthesis and biological activity of novel chalcones incorporating
thiadiazolyl isoquinoline as potential anticancer candidates. Different genetic tools were used in an attempt to
know the mechanism of action of this compound against breast cancer.

Methods:
An efficient one pot synthesis of novel chalcones incorporating thiadiazolyl isoquinoline has been
developed. The cytotoxic activity of the novel synthesized compounds was performed against four different
kinds of cancer cell lines.

Results:
Among all the tested derivatives, chalcone 3 has the best cytotoxic profile against A549, MCF7, and
HeLa cell lines, with IC50s (66.1, 51.3, and 85.1μM, respectively). Molecular docking studies for chalcone 3
revealed that CDK2, and EGFRTK domains have strong binding affinities toward the novel chalcone 3, while
tubulin-colchicine-ustiloxin, and VEGFRTK domains illustrated moderate mode of binding.

Conclusion:
We have developed an efficient method for the synthesis of novel chalcones incorporating thiadiazolyl
isoquinoline. All compounds showed better cytotoxicity results against four kinds of cancer cell lines
(A549, MCF7, HCT116, and HELA cells). The results depicted that chalcone 3 has a high and promising cytotoxic
effect against HELA cell line and the mechanism of cytotoxicity was widely studied through different
theoretical and experimental tools. Thus, the newly synthesized derivative 3 can be utilized as a novel chemotherapeutic
compound for cervical carcinoma.
Utilization of and Dental Students’ Perceived Benefits of an Urgent Care Clinic in a Dental School
Authors: Carrico Caroline K. , Jain Sameer , Brickhouse Tegwyn H. , Dahlke William O. , Spatafore Clara M. 
Published: November 2019

AbstractThe aims of this study were to describe patient utilization of an urgent care clinic (UCC) in a dental school for one year and to assess dental students’ perceptions of the benefits of training in this clinic. Aggregate clinic data from July 3, 2017, through July 6, 2018, were used to determine number of patients, number of new patients, number of new patients who elected to transfer their primary dental care to the university, number who were seen for a follow‐up, and service/clinic to which each patient was referred. Student evaluations were used to determine the benefits students perceived in their training in the UCC. Results showed that 1,674 patients were seen in the UCC during the study period. Of these, 67% were new patients, and 53% of these new patients opted to transfer their primary dental care to the university. An average of 7.03 patients were treated per day, and 2.48 new patients per day were generated for the predoctoral student clinic. The most common referrals were to oral surgery (37%), endodontics (30%), and the predoctoral dental clinic (28%). Among these patients, 39% scheduled follow‐up appointments, and the attendance rate was 69%. About 80% of eligible students (40/50) completed the questionnaire, and many provided optional comments. Over 80% of the responding students responded favorably regarding the learning experiences and assessments during the UCC rotation. This study found that establishment of the UCC increased the pool of patients and provided students the necessary experiences in triaging and treating dental emergencies.
Designing and quality testing of “Digichip” virtual simulation software of Android platform for mobile-virtual learning supporting vocational mechatronics engineering
Authors: Hadi Titih Rejyasmito , Marpanaji Eko 
Published: November 2019

Technology enhancement in any life aspects is undeniably crucial to face the globalization era. A strategic approach to touch any life aspect is gained through education. Supporting this educational long-term goal, this study aims to: (1) produce learning media in the form of a virtual-learning simulation software, which is capable of operation on mobile devices to facilitate mobile, portable, effective, economical, and operationally-safe learning; (2) test the developed software quality in terms of the functional aspects of suitability, maintainability, portability, and usability (ISO/IEC 25010). The subjects of this Research and Development (R&D) study were class XI students of Mechatronics Engineering at SMTI Yogyakarta. The process of designing and testing software uses the V-model type Software Development Life Cycle (SDLC). Unit testing was done through the white-box technique with the base-path test, flowgraph, and independent path. The testing for integration, system, and acceptance used Black-box techniques. The study shows that: (1) V-models were used to design the "DigiChip" virtual simulation software to support virtual learning and mobile learning through the software development stage; (2) The software quality testing based on ISO/IEC 25010 shows that in the functional aspects suitability, all features function properly (very decent), its maintainability is of MI 84 (easy maintenance), it gains 100% portability, or can be operated on all Android OS kernels (very feasible), and its usability is 86.18% (very feasible) with Cronbach's Alpha 0.841 (good). Ninety percent of media experts and 100% of material experts consider that the developed software is very feasible.