bluuebunny/crossref_metadata_2025_split huggingface dataset:
Reactivity of 2‐mercaptopyridines with Iridium(I)‐Tris(pyrazolyl) borate complexes
Authors: Gomez‐Bonilla Manuel A. , Salazar‐Pereda Verónica , Mendoza‐Espinosa Daniel , Gonzalez‐Montiel Simplicio , Castañeda‐Ovando Aracely , Rojas‐Lima Susana , Sandoval‐Chavez Cesar I. , Lopez‐Jímenez Jorge A. 
Published: January 2021

AbstractReaction of of the Ir(I) complex [TpMe2Ir−(C2H4)2] (1) with a variety of mercaptopyridines produces in good yields the Ir(III)‐metallacycles 2–4 with the general formula [TpMe2Ir(C2H5)(k2‐(N,S)‐mercaptopyridine)]. Complexes 2–4 are proposed to take place by the initial formation of the 16 electron intermediate [TpMe2Ir(CH=CH2)(C2H5)] which then coordinates the nitrogen atom of the mercaptopyridine and promotes the deprotonation of the SH group via the elimination of an ethylene molecule. Heating of complex [TpMe2Ir(η4‐CH2=C(Me)C(Me)=CH2)]] (5) at 100 °C with the substituted mercaptopyridines results in the formation of the Ir(III) complexes 6–8 with the general formula [TpMe2Ir(C6H5)(κ2‐(N,S)‐mercaptopyridine)]. Generation of complexes 6–8 is proposed to take place by the initial formation of the [TpMe2Ir(C6H5)2N2] complex which after releasing nitrogen coordinates the mercaptopyridine in a η1‐fashion and favour the SH moiety deprotonation with the release of a benzene molecule. All complexes have been fully characterized by NMR spectroscopy, FT‐IR, elemental analysis and in the case of 2, 4, and 8 by X‐ray crystallography. Details of the reaction conditions, characterization and isolation of the products will be discussed.
Self‐Assembly of a Dodecanuclear [Ni12] Wheel
Authors: Liu Qi , Li Chang'An , Yao Binling , Cui Yunshu , Cheng Yue , Deng Yi‐Fei , Chen Zi‐Yi , Zhang Yuan‐Zhu 
Published: January 2021

AbstractSelf‐assembly of nickle acetate and N,N′‐di[1‐(2‐hydroxyphenyl)‐ethylidene]hydrazone (H2L) ligand in a 2 : 1 ratio in DMF and methanol afforded a dodecanuclear wheel‐like coordination cluster: [Ni12L6(OAc)6(HCOO)6(DMF)6] ⋅ 4DMF ⋅ 5H2O (1), in which the formate ions were likely in situ originated from the oxidation of methanol molecules and each deprotonate ligand (L2−) adopting the μ4‐η2,η1,η1,η2 coordination mode with a large C=N−N=C torsion angle of 94.1° ligates four different Ni(II) ions. Magnetic study revealed that 1 showed the long‐range antiferromagnetic order with the Neer temperature of 9.0 K while the intracluster interaction between the neighboring Ni centers is alternately ferro‐ and antiferromagnetic (J=+5.0/−9.2 K in the one J), mainly depending on the oxo‐bridging angles.
Biomimetic Syntheses of Amorfrutin C and C‐5 Substituted Amorfrutin Analogues
Authors: Patel Calum , Mies Thomas , White Andrew J. P. , Parsons Philip J. , Barrett Anthony G. M. 
Published: January 2021

AbstractAmorfrutin C, a C‐5 prenyl amorfrutin, its allyl analog and an amorfrutin C‐5 aldehyde have been synthesized using a biomimetic strategy from non‐aromatic precursors. In this approach, a dioxinone derived β,δ‐diketo ester underwent a decarboxylative Pd(0) catalyzed prenyl migration to give a β,δ‐diketo dioxinone, which readily aromatized giving the amorfrutin core. The introduction of prenyl and allyl moieties at the C‐5 position of the scaffold was accomplished using a Claisen rearrangement. Alternatively, iodination, lithium‐iodine exchange and trapping with DMF gave the amorfrutin aldehyde and an amorfrutin alcohol when excess n‐BuLi was used.
Replication‐aware secure resource administration scheme for Internet of Things‐smart city applications
Authors: Al Solami Eesa 
Published: January 2021

AbstractThe distributed and heterogeneous nature of the Internet of Things (IoT) paradigm provides backhauled support for different smart‐city applications. As it provides ubiquitous access to resources and replicated services, the threat for security remains firm for different applications. The concept of cybersecurity in the IoT‐smart‐city combination grants promising outcomes in securing the physical and service‐centric resources from external threats. This article proposes to improve the protection of the IoT services in smart‐city applications using replication‐aware secure resource administration scheme framework. In a smart city application, which involves a cloud, based network, IoT platform, and distributed sensor networks guarantees differentiated protection mechanisms for replicated and non‐replicated infrastructure. Instantly revocable security activities are used to prevent unintended attacks to the original resource supplier from monitoring non‐replicated services. For this purpose, Naïve Bayes' diffusion approach is used to continuously evaluate the likelihood of disclosure of the repeated and unreplicated properties. The hazard and level of exposure for which prompted protection is assessed using the recommendations of the delivery system. The promptness of the security outcome is based on re‐formulating permission delegations, security checks, and so on. This helps to leverage the security level of the available resources irrespective of the impact of the external threats. Besides, the proposed scheme improves the lifetime of the services with controlled overhead and service failures.
CTrust‐RPL: A control layer‐based trust mechanism for supporting secure routing in routing protocol for low power and lossy networks‐based Internet of Things applications
Authors: ul Hassan Temur , Asim Muhammad , Baker Thar , Hassan Jawad , Tariq Noshina 
Published: January 2021

AbstractInternet of Things (IoT) fostered a new epoch of innovation by interconnecting digital devices to make human life more convenient and attractive. These smart objects are largely deployed as low power and lossy networks (LLNs) and use routing protocol for LLNs (RPL) for routing. Unfortunately, it is extremely vulnerable to a large variety of external and internal attacks to cause devastating and calamitous effects. However, this article's scope revolves around internal attacks only, where nodes are already part of a legitimate network. Various trust‐based mechanisms have been proposed to secure the RPL protocol from insider attackers. Existing trust mechanisms cause high energy depletion due to complex computation on the node level, which consequently decreases the performance of LLNs. Therefore, this article presents a novel hierarchical trust‐based mechanism “CTrust‐RPL” by assessing the trust of nodes based on their forwarding behaviors. This study ships complex trust‐related computations to the higher layer, known as the controller, to save computational, storage, and energy resources at the node level. We also compare the proposed mechanism with a state‐of‐the‐art technique calledSec‐trust. Our mechanism demonstrates superior performance in detecting and isolating blackhole attacks. The results depict thatCTrust‐RPLdetects and isolates 10% more malicious nodes thanSec‐trustin the same time‐lapse. The average packet loss ratio difference is less for our proposed mechanism, with 35% more energy efficiency.
Maternal protein restriction induces renal AT2R promoter hypomethylation in salt‐sensitive, hypertensive rats
Authors: Miyoshi Moe , Imakado Yasuhisa , Otani Lila , Kaji Misa , Aanzai Yuki , Sugimoto Naoya , Murakami Tetsuo , Fukuoka Masashi , Hohjoh Hirohiko , Jia Huijuan , Kato Hisanori 
Published: January 2021

AbstractScopeWe previously demonstrated that protein restriction in utero induced salt‐sensitive hypertension and changed renal levels of angiotensin type 2 receptor (AT2R) in Stroke‐Prone Spontaneously Hypertensive Rat (SHRSP). Here, we investigated if this characteristic alteration of AT2R is related to AT2R DNA methylation profiles.Methods and ResultsFirst, we examined the relation between AT2R DNA methylation and its promoter activity in vitro. Luciferase assays revealed a negative correlation between these two variables. Next, we fed SHRSP dams and grand‐dams a control 20% casein diet or a 9% casein diet during pregnancy. Adult offspring and grand‐offspring were supplied either water or 1% saline solution for 2 weeks. Renal AT2R promoter DNA near the TATA‐box was hypomethylated, mRNA expression was suppressed, and protein expression tended to be higher, in adult offspring of mothers fed a low casein diet. Moreover, adult grand‐offspring exhibited high blood pressure after salt loading, along with suppressed transcription of AT2R mRNA and elevated translated protein.ConclusionsUnder a fetal environment of protein restriction, the increase in protein expression due to hypomethylation of the AT2R promoter region occurs as a response to increased salt sensitivity, and controlling this mechanism may be important for the prevention of hypertension.
Association of dietary calcium, magnesium, and vitamin D with type 2 diabetes among US adults: National health and nutrition examination survey 2007–2014—A cross‐sectional study
Authors: Shah Imran Ullah , Sameen Aysha , Manzoor Muhammad Faisal , Ahmed Zahoor , Gao Jian , Farooq Umar , Siddiqi Sultan Mehmood , Siddique Rabia , Habib Adnan , Sun Changhao , Siddeeg Azhari 
Published: January 2021

AbstractHigher dietary intake of calcium (Ca), magnesium (Mg), and vitamin D has been associated with reduced risk of type 2 diabetes (T2DM), and a higher intracellular ratio of Ca to Mg leads to insulin resistance. Previous epidemiological studies did not examine the combined effects of dietary Ca, Mg, and vitamin D as well as ratio of Ca to Mg with T2DM. Therefore, we assessed the relationship between dietary intakes of Mg, Ca, and vitamin D (using 24‐hr recalls) individually and in composite and T2DM in the National Health and Nutrition Examination Survey 2007–2014, which involved 20,480 adults (9,977 men and 10,503 women) with comprehensive information on related nutrients, and anthropometric, demographic, and biomarker variables using multivariable logistic regression. The results indicated that dietary calcium at Q3 (812 mg/day) was significantly linked with T2DM in women (OR: 1.30; 95% CI: 1.02, 1.65). Dietary vitamin D at Q3 (5.25 μg/day) significantly reduced the odds of T2DM by 21% in men (OR: 0.79; 95% CI: 0.64, 0.98). This is an interesting study that has important implications for dietary recommendations. It is concluded that US adults having dietary Ca below the RDA were associated with increased risk of T2DM in all population and women, while higher ratio of Ca to Mg was associated with increased risk of T2DM in all population and increased vitamin D intake is related to decreased risk of T2DM in men. Moreover, further research is needed to make more definitive nutritional recommendations.
Probing BRD Inhibition Substituent Effects in Bulky Analogues of (+)‐JQ1
Authors: Hassell‐Hart Storm , Picaud Sarah , Lengacher Raphael , Csucker Joshua , Millet Regis , Gasser Gilles , Alberto Roger , Maple Hannah , Felix Robert , Leśnikowski Zbigniew J. , Stewart Helen J. S. , Chevassut Timothy J. , Morley Simon , Filippakopoulos Panagis , Spencer John 
Published: January 2021

AbstractA series of bulky organometallic and organic analogues of the bromodomain (BRD) inhibitor (+)‐JQ1 have been prepared. The most potent, N‐[(adamantan‐1‐yl)methyl]‐2‐[(9S)‐7‐(4‐chlorophenyl)‐4,5,13‐trimethyl‐3‐thia‐1,8,11,12‐tetraazatricyclo[8.3.0.02,6]trideca‐2(6),4,7,10,12‐pentaen‐9‐yl]acetamide, 2e, showed excellent potency with an KD=ca. 130 nm vs. BRD4(1) and a ca. 2‐fold selectivity over BRD4(2) (KD=ca. 260 nm). Its binding to the first bromodomain of BRD4 was determined by a protein cocrystal structure.
Suggesting a framework for preparedness against the pandemic outbreak based on medical informatics solutions: a thematic analysis
Authors: Gholamzadeh Marsa , Abtahi Hamidreza , Safdari Reza 
Published: January 2021

AbstractBackgroundWhen an outbreak emerged, each country needs a coherent and preventive plan to deal with epidemics. In the era of technology, adopting informatics‐based solutions is essential. The main objective of this study is to propose a conceptual framework to provide a rapid and responsive surveillance system against pandemics.MethodsA three‐step approach was employed in this research to develop a conceptual framework. These three steps comprise (1) literature review, (2) extracting and coding concepts, and determining main themes based on thematic analysis usingATLAS.ti®software, and (3) mapping concepts. Later, all of the results synthesized under expert consultation to design a conceptual framework based on the main themes and identified strategies related to medical informatics.ResultsIn the literature review phase, 65 articles were identified as eligible studies for analysis. Through line by line coding in thematic analysis, more than 46 themes were extracted as potential foremost themes. Based on the key themes and strategies were employed by studies, the proposed framework designed in three main components. The most appropriate strategies that can be used in each section were identified based on the demands of each part and the available solutions. These solutions were employed in the final framework.ConclusionThe presented model in this study can be the first step for a better understanding of the potential of medical informatics solutions in promoting epidemic disease management. It can be applied as a reference model for designing intelligent surveillance systems to prepare for probable future pandemics.
Spatiotemporal dynamics of water sources in a mountain river basin inferred throughδ2Handδ18Oof water
Authors: McGill Lillian M. , Brooks J. Renée , Steel E. Ashley 
Published: January 2021

AbstractIn mountainous river basins of the Pacific Northwest, climate models predict that winter warming will result in increased precipitation falling as rain and decreased snowpack. A detailed understanding of the spatial and temporal dynamics of water sources across river networks will help illuminate climate change impacts on river flow regimes. Because the stable isotopic composition of precipitation varies geographically, variation in surface water isotope ratios indicates the volume‐weighted integration of upstream source water. We measured the stable isotope ratios of surface water samples collected in the Snoqualmie River basin in western Washington over June and September 2017 and the 2018 water year. We used ordinary least squares regression and geostatistical Spatial Stream Network models to relate surface water isotope ratios to mean watershed elevation (MWE) across seasons. Geologic and discharge data was integrated with water isotopes to create a conceptual model of streamflow generation for the Snoqualmie River. We found that surface water stable isotope ratios were lowest in the spring and highest in the dry, Mediterranean summer, but related strongly to MWE throughout the year. Low isotope ratios in spring reflect the input of snowmelt into high elevation tributaries. High summer isotope ratios suggest that groundwater is sourced from low elevation areas and recharged by winter precipitation. Overall, our results suggest that baseflow in the Snoqualmie River may be relatively resilient to predicted warming and subsequent changes to snowpack in the Pacific Northwest.
Machine learning for accelerating 2D flood models: Potential and challenges
Authors: Jamali Behzad , Haghighat Ehsan , Ignjatovic Aleksandar , Leitão João P. , Deletic Ana 
Published: January 2021

AbstractTwo‐dimensional hydrodynamic models numerically solve full Shallow Water Equations (SWEs). Despite their high accuracy, these models have long simulation run times and therefore are of limited use for exploratory or real‐time flood predictions. We investigated the possibility of improving flood modelling speed using Machine Learning (ML). We propose a new method that replaces the computationally expensive parts of the hydrodynamic models with simple and efficient data‐driven approximations. Our hypothesis is that by integrating ML with physics‐based numerical methods, we can achieve improved generalization performance: that is, the trained model for one case study can be used in other studies without the need for new training. We tested two ML approaches: for the first, we integrated curve fitting, and, for the second, artificial neural networks (ANN) with a finite volume scheme to solve the local inertial approximation of the SWEs. The data‐driven models approximated the Momentum Equation, which explicitly solved the time derivative of flow rates. Water depths were then updated by applying a water balance equation. We also tested two different training datasets: the simulated dataset, generated from the results of hydrodynamic model, and the random dataset, generated by directly solving the momentum equation on randomly sampled input data. Various combinations of input features, for example, water slope and depth, were explored. The proposed models were trained in a small hypothetical case and tested in a different hypothetical and in two real case studies. Results showed that the curve‐fitting method can be implemented successfully, given sufficient training and input data. The ANN model trained with a random dataset was substantially more accurate than that of the model trained with the simulated dataset. However, it was not successful in the real case studies. The curve‐fitting method resulted in better generalization performance and increased the simulation speed of the local inertial model by 23%. Future research should test the performance of ML in terms of an increase in stable time step size and approximation of the full SWEs.
Development of a prognostic index based on immunogenomic landscape analysis in glioma
Authors: Luo Haitao , Tao Chuming , Wang Peng , Li Jingying , Huang Kai , Zhu Xingen 
Published: January 2021

AbstractBackgroundGlioma is the most common intracranial tumor. The inflammatory response actively participates in the malignancy of gliomas. There is still limited knowledge about the biological function of immune‐related genes (IRGs) and their potential involvement in the malignancy of gliomas.MethodsWe screened differentially expressed and survival‐associated IRGs, and explored their potential molecular characteristics. Then we developed a prognostic index derived from seven hub IRGs. A prognostic nomogram was built to indicate the prognostic value of the prognostic index and seven IRGs. We characterized the immune infiltration landscape to analyze tumor‐immune interactions. The real‐time quantitative polymerase chain reaction assay was performed to validate bioinformatics results.ResultsThe differentially expressed IRGs are involved in cell chemotaxis, cytokine activity, and the chemokine‐mediated signaling pathway. The prognostic index derived from seven IRGs had clinical prognostic value in glioma, and positively correlated with the malignant clinicopathological characteristics. A nomogram further indicated that the prognostic index and seven hub IRGs had clinical prognostic value for gliomas. We revealed that the prognostic index could reflect the state of the glioma immune microenvironment.ConclusionThis study demonstrates the importance of an IRG‐based prognostic index as a potential biomarker for predicting malignancy in gliomas.
Analysis of default risk in microfinance institutions under the Basel III framework
Authors: Durango‐Gutiérrez Maria Patricia , Lara‐Rubio Juan , Navarro‐Galera Andrés 
Published: January 2021

AbstractInternational organizations such as OECD, WBG, IMF, UN and EU, as well as research studies, have highlighted the increasing contribution being made by microcredit finance institutions (MFIs) to financial inclusion, sustainable economic development and the fight against poverty. However, access to MFI credit is still far from the desired level for small and micro‐enterprises, especially in developing countries. The countries of Latin America and the Caribbean, where approximately half of the small formal companies do not have access to credit, have the world's highest financial gap ratio compared to potential demand (87%). In this context, effective instruments are needed to assess default risk, through credit ratings. Based on the Basel III regulations, an empirical study was conducted of two microcredit portfolios corresponding to two MFIs in two Latin American countries (Bolivia and Colombia) during the period 2012–2015, to identify the explanatory variables of the probability of default on loans granted by MFIs, using a logistic regression model and a neural network. The results obtained show that the main variables in this respect are the amount of the loan, the number of payments in arrears, the guarantees provided, the assessment of the credit analyst, male gender of the borrower and the level and trend of the general stock exchange index. The conclusions presented advance previous research findings and may be useful for MFI managers, regulatory institutions, financial analysts, scholars, policy‐makers and applicants for microcredits to undertake a business project, especially in times of emerging crisis, such as that caused by the Covid‐19 pandemic.
Indocyanine green‐enhanced multimodal photoacoustic microscopy and optical coherence tomography molecular imaging of choroidal neovascularization
Authors: Nguyen Van Phuc , Folz Jeff , Li Yanxiu , Henry Jessica , Zhang Wei , Qian Thomas , Wang Xueding , Paulus Yannis M. 
Published: January 2021

AbstractPhotoacoustic microscopy (PAM) has great potential for visualization of the microvasculature with high spatial resolution and contrast. Early detection and differentiation of newly developed blood vessels named choroidal neovascularization (CNV) from normal vasculature remains a challenge in ophthalmology. Exogenous contrast agents can assist with improving PAM sensitivity, leading to differentiation of CNV. Here, an FDA‐approved indocyanine green (ICG) was utilized as a PAM contrast agent. ICG was conjugated with RGD peptides, allowing the ICG to bind to the integrin expressed in CNV. Molecular PAM imaging showed that ICG‐RGD can target CNV for up to 5 days post intravenous administration in living rabbits with a model of CNV. The PAM image sensitivity and image contrast were significantly enhanced by 15‐fold at 24 h post‐injection. Overall, the presented approach demonstrates the possibility of targeted ICG to be employed in PAM molecular imaging, allowing more precise evaluation of neovascularization.
Polycaprolactone/silk fibroin electrospun nanofibers‐based lateral flow test strip for quick and facile determination of bisphenol A in breast milk
Authors: Gürel‐Gökmen Begüm , Taslak Hava Dudu , Özcan Ozan , İpar Necla , Tunali‐Akbay Tuğba 
Published: January 2021

AbstractThis study aimed to develop a sensitive lateral flow test strip for the detection of bisphenol A (BPA) in breast milk. Conventional nitrocellulose test membrane was coated with the coaxial nanofiber, consisting of the inner polycaprolactone (PCL) and the outer PCL/silk fibroin (SF) mixture, to decrease the flow rate of the breast milk in the lateral flow assay (LFA). The nanofiber was prepared by using coaxial electrospinning, and BPA antibody was immobilized physically to the nanofiber. This nanofiber was used as a test membrane in the LFA. Color changes on the test membrane were evaluated as the signal intensity of the BPA. Breast milk creates a background on surfaces due to its structural properties. This background was detected by comparing the signal intensity with the signal intensity of water. The higher signal intensity was found in water samples when compared to breast milk samples. Although the detection limit is 2 ng/ml in both coaxial PCL/SF nanofiber and nitrocellulose (NC) test membranes, the color intensity increased with the increasing BPA concentration in the coaxial PCL/SF nanofiber. As a new dimension, the coaxial PCL/SF nanofiber provided higher color intensity than the NC membrane. In conclusion, a sensitive onsite method was developed for the detection of BPA in breast milk by using new coaxial PCL/SF nanofiber as a test membrane in LFA.