bluuebunny/crossref_metadata_2025_split huggingface dataset:
4,5‐Dihydro‐imidazol‐2‐ylidene‐linked palladium complexes as catalysts for the direct CH bond arylation of azoles
Authors: Kaloğlu Murat , Özdemir Namık , Özdemir İsmail 
Published: January 2022

Recently, PEPPSI‐type palladium‐complexes bearing N‐heterocyclic carbene (NHC) ligand have commonly been used as the effective catalysts in the direct arylation of heteroaromatic compounds. In most of previous studies catalyzed by such complexes, unsaturated ring carbene ligands such as benzo[d]imidazol‐2‐ylidene and imidazol‐2‐ylidene were used. However, the use of saturated ring carbene ligands such as 4,5‐dihydro‐imidazol‐2‐ylidene has been highly limited. Therefore, in this study, four novel 4,5‐dihydro‐1H‐imidazolium salts were synthesized as saturated ring carbene precursors. Then, well‐defined air‐ and moisture‐stable four novel PEPPSI‐type palladium‐complexes with 4,5‐dihydro‐imidazol‐2‐ylidene ligands were prepared. All synthesized carbene precursors and palladium‐complexes were structurally characterized by different spectroscopic and analytical techniques. Further structural characterization of two of the palladium‐complexes was performed by single‐crystal X‐ray diffraction. Next, the palladium‐complexes were tested in the direct arylation of azoles such as 4,5‐dimethylthiazole and 1‐methyl‐1H‐imidazole with (hetero)aryl halides in presence of 1 mol% catalyst loading at 120°C. The results showed that these novel palladium complexes are effective catalysts.
Pickering emulsion templated strategy in composite aerogels with hierarchical porous structure improves thermal insulation and diphenylamine adsorption
Authors: Yu Jiangang , Jin Yi , Liu Guoqing , Hua Feiguo , Lv Yanwen 
Published: January 2022

AbstractA facile Pickering emulsion templated approach is used to achieve nanocelluloses (NCs)/poly(aryl ether ketone) (PAEK) composite aerogels with low density and hierarchical porous structure. In this article, we evaluate the factors including water–oil volume ratio, PAEK loading and NCs species to unravel the impact of fiber morphology on the formation and properties of the Pickering emulsions and aerogels. The results show both cellulose nanofibrils (CNF) and microfibrous cellulose (MFC) display excellent performance in stabilizing Pickering emulsions. Besides, the NCs/PAEK composite aerogels reveal a nanonet constructed porous network with excellent properties of thermal insulation. The lowest thermal conductivity of 17.8 mW·m−1·K−1 is obtained for the CNF/PAEK composite aerogel. To our knowledge, this is one of the most efficient thermal insulators in the reported NCs‐based aerogels. Additionally, the NCs/PAEK composite aerogels demonstrate an efficiency of 98.1% in diphenylamine adsorption of water. These findings reveal a potential application of NCs/PAEK composite aerogels in adsorbent and thermal insulators in chemical industries and the construction sector.
Medicaid healthcare expenditures for infants with birth defects potentially related to Zika virus infection in North Carolina, 2011–2016
Authors: Bergman Kristin , Forestieri Nina E. , Di Bona Vito L. , Grosse Scott D. , Moore Cynthia A. 
Published: January 2022

AbstractBackgroundIn 2016, Zika virus (ZIKV) was recognized as a human teratogen. North Carolina (NC) had no local transmission of ZIKV but infants with relevant birth defects, including severe brain anomalies, microcephaly, and eye abnormalities, require specialized care and services, the costs of which have not yet been quantified. The objective of this study is to examine NC Medicaid healthcare expenditures for infants with defects potentially related to ZIKV compared to infants with no reported defects.MethodsData sources for this retrospective cohort study include NC birth certificates, Birth Defects Monitoring Program data, and Medicaid enrollment and paid claims files. Infants with relevant defects were identified and expenditure ratios were calculated to compare distributions of estimated expenditures during the first year of life for infants with relevant defects and infants with no reported defects.ResultsThis analysis included 551 infants with relevant defects and 365,318 infants with no reported defects born 2011–2016. Mean total expenditure per infant with defects was $69,244 (median $30,544) for the first year. The ratio of these expenditures relative to infants with no reported defects was 14.5. Expenditures for infants with select brain anomalies were greater than those for infants with select eye abnormalities only.ConclusionsInfants with defects potentially related to ZIKV had substantially higher Medicaid expenditures than infants with no reported defects. These results may be informative in the event of a future outbreak and are a resource for program planning related to care for infants in NC.
Adaptive tolerance: Protection through self‐recognition
Authors: Amendt Timm , Jumaa Hassan 
Published: January 2022

AbstractThe random nature of immunoglobulin gene segment rearrangement inevitably leads to the generation of self‐reactive B cells. Avoidance of destructive autoimmune reactions is necessary in order to maintain physiological homeostasis. However, current central and peripheral tolerance concepts fail to explain the massive number of autoantibody‐borne autoimmune diseases. Moreover, recent studies have shown that in physiological mouse models autoreactive B cells were neither clonally deleted nor kept in an anergic state, but were instead able to mount autoantibody responses. We propose that activation of autoreactive B cells is induced by polyvalent autoantigen complexes that can occur under physiological conditions. Repeated encounter of autoantigen complexes leads to the production of affinity‐matured autoreactive IgM that protects its respective self‐targets from degradation. We refer to this novel mechanism as adaptive tolerance. This article discusses the discovery of adaptive tolerance and the unexpected role of high affinity IgM autoantibodies.
MMP9 SNP and MMP SNP–SNP interactions increase the risk for ischemic stroke in the Han Hakka population
Authors: Fan Daofeng , Zheng Chong , Wu Wenbao , Chen Yinjuan , Chen Dongping , Hu Xiaohong , Shen Chaoxiong , Chen Mingsheng , Li Rongtong , Chen Yangui 
Published: January 2022

AbstractObjectivesTo investigate the association of eight variants of four matrix metalloproteinase (MMP) genes with ischemic stroke (IS) and whether interactions among these single nucleotide polymorphisms (SNPs) increases the risk of IS.MethodsAmong 547 patients with ischemic stroke and 350 controls, matrix‐assisted laser desorption/ionization time of flight mass spectrometry was used to examine eight variants arising from four different genes, including MMP‐1 (rs1799750), MMP‐2 (rs243865, rs2285053, rs2241145), MMP‐9 (rs17576), and MMP‐12 (rs660599, rs2276109, and rs652438). Gene–gene interactions were employed using generalized multifactor dimensionality reduction (GMDR) methods.ResultsThe frequency of rs17576 was significantly higher in IS patients than in controls (p = .033). Logistic regression analysis revealed the AG and GG genotypes of rs17576 to be associated with a higher risk for IS, with the odds ratio and 95% confidence interval being 2.490 (1.251–4.959) and 2.494 (1.274–4.886), respectively. GMDR analysis showed a significant SNP‐SNP interaction between rs17576 and rs660599 (the testing balanced accuracy was 53.70% and cross‐validation consistency was 8/10, p = .0107). Logistic regression analysis showed the interaction between rs17576 and rs660599 to be an independent risk factor for IS with an odds ratio of 1.568 and a 95% confidence interval of 1.152–2.135.ConclusionAn MMP‐9 rs17576 polymorphism is associated with increased IS risk in the Han Hakka population and interaction between MMP‐9 rs17576 and MMP‐12 rs660599 is associated with increased IS risk as well.
The Influence of Rheological and Wetting Properties of Hydrogel‐based Bio‐Inks on Extrusion‐based Bioprinting
Authors: Maciel Bruna Regina , Baki Kubilay , Oelschlaeger Claude , Willenbacher Norbert 
Published: January 2022

AbstractThe wall slip and flow behavior of alginate as well as gelatin based hydrogels with respect to the impact of these rheological and wetting properties on extrusion‐based bioprinting (EBB) was investigated. Capillary rheometry and printing tests indicate that slip is negligible at high stresses relevant for EBB, i.e., well above the hydrogels yield stress. On the contrary, rotational rheometry performed at low shear stresses revealed that alginate hydrogels present much stronger slip than gelatin gels, irrespective of crosslinker and polymer concentration. This result is presumably due to the formation of a heterogeneous microstructure for alginate gels and has an unfavorable impact on the printing quality with the production of large fluctuations in line width and higher line spread ratio.
Potentially Toxic Metals in Sediments from Liao River Estuary Wetland: Concentration, Source, and Risk Assessment
Authors: Wei Zhongping , Luo Qing , Gao Yingxu , Zhang Ying , Liu Li , Chen Gang 
Published: January 2022

AbstractIn this study, a total of 26 surface sediments samples are collected from the Liao River estuary wetland, China. The concentration, potential ecological risk, and source apportionment of potentially toxic metals including Sr, Zn, Cr, Ni, Pb, Cu, and As in different seasons are analyzed. The average concentrations of potentially toxic metals are below the first class of Chinese marine sediment quality standard. There is no significant difference in the concentrations of potentially toxic metals in the sediments collected in June and November. The concentrations of potentially toxic metals in the periphery of the nature reserve are higher than those in the core area of the nature reserve. The average enrichment factors of As, Pb, Cu, Ni, Zn, and Cr are about 1, classified as minimal enrichment. The average enrichment factor of Sr is >2, which corresponds to moderate enrichment. The individual (Er) and total potential ecological risks (RI) of potentially toxic metals are low. The positive matrix factorization model suggested that the potentially toxic metals in surface sediments in June are dominantly from atmospheric deposition, industrial discharges, natural sources, and traffic emission. However, the traffic emission source is replaced by agricultural production and metal smelting activities in November.
Biguanide MC001, a Dual Inhibitor of OXPHOS and Glycolysis, Shows Enhanced Antitumor Activity Without Increasing Lactate Production
Authors: Fu Jiamiao , Liu Siyu , Hu Minqiang , Liao Ximing , Wang Xiaoquan , Xu Zhengshuang , Li Qinkai , Quan Junmin 
Published: January 2022

AbstractMetformin and other biguanides represent a new class of inhibitors of mitochondrial complex I that show promising antitumor effects. However, stronger inhibition of mitochondrial complex I is generally associated with upregulation of glycolysis and higher risk of lactic acidosis. Herein we report a novel biguanide derivative, N‐cystaminylbiguanide (MC001), which was found to inhibit mitochondrial complex I with higher potency while inducing lactate production to a similar degree as metformin.Furthermore, MC001 was found to efficiently inhibit a panel of colorectal cancer (CRC) cells in vitro and to suppress tumor growth in a HCT116 xenograft nude mouse model, while not enhancing lactate production relative to metformin, exhibiting a superior safety profile to other potent biguanides such as phenformin. Mechanistically, MC001 efficiently inhibits mitochondrial complex I, activates AMPK, and represses mTOR, leading to cell‐cycle arrest and apoptosis. Notably, MC001 inhibits both oxidative phosphorylation (OXPHOS) and glycolysis. We therefore propose that MC001 warrants further investigation in cancer treatment.
Delivering colorectal cancer screening integrated with primary health care services in Morocco: Lessons learned from a demonstration project
Authors: Selmouni Farida , Amrani Laila , Sauvaget Catherine , Bakkar Meryem , El Khannoussi Basma , Souadka Amine , Benkabbou Amine , Majbar Mohammed Anass , Belekhel Latifa , Lucas Eric , Muwonge Richard , Chami Khazraji Youssef , Mohsine Raouf , Bennani Maria , Sankaranarayanan Rengaswamy , Bekkali Rachid , Basu Partha 
Published: January 2022

BackgroundColorectal cancer (CRC) incidence and mortality rates are increasing rapidly in many low‐income and middle‐income countries. A demonstration project was implemented in Morocco in collaboration with the Ministry of Health to assess the feasibility, acceptability, and challenges of implementing CRC screening through routine primary care facilities.MethodsThe objective of the project was to screen 10,000 men and women aged 50 to 75 years through 10 primary health centers (PHCs) in 2 provinces. All eligible men and women attending the selected PHCs were offered the fecal immunochemical test (FIT). Stool specimens brought to the PHCs were tested immediately by trained nurses. FIT‐positive individuals were referred to the National Oncology Institute for colonoscopy.ResultsIn total, 9763 eligible men and women were screened by FIT between June 2017 and May 2019; most (73.3%) were women. The test was positive in 460 participants (4.7%). Among the individuals who had positive FIT results, 62.6% underwent colonoscopy. The main reasons for noncompliance to colonoscopy were competing life priorities (15.4%), other health problems (13%), and fear of getting a cancer diagnosis (12.3%). As the number of referrals to colonoscopy increased, the waiting time for the procedure increased, resulting in a drop in compliance. The detection rates of advanced adenomas and CRC were 4.0 in 1000 and 0.5 in 1000 individuals screened, respectively.ConclusionsAn effective strategy to reach the target populations (especially men), a pragmatic assessment of the health system's capacity to deal with large numbers of referrals, and a formal cost‐effectiveness analysis are essential before making any decision to introduce CRC screening in Morocco.
Neural organization of the third optic neuropil, the lobula, in the highly visual semiterrestrial crab Neohelice granulata
Authors: Lepore María Grazia , Tomsic Daniel , Sztarker Julieta 
Published: January 2022

AbstractThe visual neuropils (lamina, medulla, and lobula complex) of malacostracan crustaceans and hexapods have many organizational principles, cell types, and functional properties in common. Information about the cellular elements that compose the crustacean lobula is scarce especially when focusing on small columnar cells. Semiterrestrial crabs possess a highly developed visual system and display conspicuous visually guided behaviors. In particular, Neohelice granulata has been previously used to describe the cellular components of the first two optic neuropils using Golgi impregnation technique. Here, we present a comprehensive description of individual elements composing the third optic neuropil, the lobula, of that same species. We characterized a wide variety of elements (140 types) including input terminals and lobula columnar, centrifugal, and input columnar elements. Results reveal a very dense and complex neuropil. We found a frequently impregnated input element (suggesting a supernumerary cartridge representation) that arborizes in the third layer of the lobula and that presents four variants each with ramifications organized following one of the four cardinal axes suggesting a role in directional processing. We also describe input elements with two neurites branching in the third layer, probably connecting with the medulla and lobula plate. These facts suggest that this layer is involved in the directional motion detection pathway in crabs. We analyze and discuss our findings considering the similarities and differences found between the layered organization and components of this crustacean lobula and the lobula of insects.
Optimizing the eigenvectors of spectral data with an initial clustering approach: Spectral versus colorimetric criteria
Authors: Mahbadi Ali Akbar , Amirshahi Seyed Hossein 
Published: January 2022

AbstractClustering of spectral data based on the correlation distance coefficient of the reflectance spectra and the color difference values is presented to minimize the information loss caused by the compression of spectral data when the first three most important eigenvectors are considered. The suggested criteria used a distance function to partition the reflectance spectra of Munsell chips into subgroups using a k‐means algorithm. The cumulative energy contributions of the first three eigenvectors of the groups are calculated and compared to those that are computed based on the 10 principal hues of Munsell color system as well as nonclustered spectra. The performance of the suggested methods is evaluated by the colorimetric and spectrophotometric errors between the ground truth and the reconstructed spectra. While the clustering methods yield significantly better results than nonclustered data, the clustering approach based on the correlation distance coefficient of spectral data provides the best overall performance for all considered measures compared to colorimetric clustering strategies.
Pharmacokinetic Drug Interaction Between Raloxifene and Cholecalciferol in Healthy Volunteers
Authors: Lee Hae Won , Kang Woo Youl , Jung Wookjae , Gwon Mi‐Ri , Cho Kyunghee , Lee Backhwan , Seong Sook Jin , Yoon Young‐Ran 
Published: January 2022

AbstractOsteoporosis is a common skeletal disorder, often leading to fragility fracture. Combination therapy with raloxifene, a selective estrogen receptor modulator, and cholecalciferol (vitamin D3) has been proposed to improve the overall efficacy and increase compliance of raloxifene therapy for postmenopausal osteoporosis. To our knowledge, there has been no report of any study on the pharmacokinetic interaction between raloxifene and cholecalciferol. This study aimed to evaluate the possible pharmacokinetic interactions between raloxifene and cholecalciferol in healthy adult male Korean volunteers. Twenty subjects completed this open‐label, randomized, single‐dose, 3‐period, 6‐sequence, crossover phase 1 study with a 14‐day washout period. Serial blood samples were collected from 20 hours before dosing to 96 hours after dosing. The plasma concentrations of raloxifene and cholecalciferol were determined using a validated method for high‐performance liquid chromatography with tandem mass spectrometry. The geometric mean ratios (90%CIs) for area under the plasma concentration–time curve from time 0 to the last quantifiable time point and maximum plasma concentration of raloxifene with or without cholecalciferol were 1.02 (0.87‐1.20) and 0.87 (0.70‐1.08), respectively. For baseline‐corrected cholecalciferol, geometric mean ratios (90%CIs) of area under the plasma concentration–time curve from time 0 to the last quantifiable time point and maximum plasma concentration with or without raloxifene were 1.01 (0.93‐1.09) and 0.99 (0.92‐1.06), respectively. Concurrent treatment with raloxifene and cholecalciferol was generally well tolerated. These results suggest that raloxifene and cholecalciferol have no clinically relevant pharmacokinetic drug‐drug interactions when administered concurrently. All treatments were well tolerated, with no serious adverse events.
Using an optimized soil and water assessment tool by deep belief networks to evaluate the impact of land use and climate change on water resources
Authors: Wang Honghao , Khayatnezhad Majid , Youssefi Naser 
Published: January 2022

AbstractThis article investigates the negative effect of land use and climate changes on water resources by the SWAT and SWAT‐DEEP∖LMSFO model. Due to the importance of runoff impact on water resources in this article, the hybrid hydrological–deep neural networks optimized by the improved SFO based on logistic map (LMSFO) algorithm have been used to provide more accurate results for runoff estimation. This method improves runoff simulation. Firstly, runoff under the influence of land use and climate change is estimated by the SWAT model. Once again, runoff is estimated by the SWAT‐DEEP/LMSFO model. In the DEEP/LMSFO model, the primary runoff has been estimated by an un‐calibrated SWAT model. Then the Primary runoff simulated is entered as an input into the DEEP model. Finally, the runoff is estimated by a test‐training method. The results of the SWAT model and the DEEP/LMSFO model show that there is an inverse correlation between land use so that reducing land cover increases runoff. The results show that climate change and land‐use change can affect annual runoff changes in the coming years.
Survival of the synthesis—GPU accelerating evolutionary sound matching
Authors: Renney Harri , Gaster Benedict , Mitchell Thomas J. 
Published: January 2022

AbstractManually configuring synthesizer parameters to reproduce a particular sound is a complex and challenging task. Researchers have previously used different optimization algorithms, including evolutionary algorithms to find optimal sound matching solutions. However, a major drawback to these algorithms is that they typically require large amounts of computational resources, making them slow to execute. This article proposes an optimized design for matching sounds generated by frequency modulation (FM) audio synthesis using the graphics processing unit (GPU). A benchmarking suite is presented for profiling the performance of three implementations: serial CPU, data‐parallel CPU, and data‐parallel GPU. Results have been collected and discussed from a high‐end NVIDIA desktop and a mid‐range AMD laptop. Using the default configuration for simple FM, the GPU accelerated design had a speedup of 128over the naive serial implementation and 8.88over the parallel CPU version on a desktop with an Intel i7 9800X CPU and NVIDIA RTX GeForce 2080Ti GPU. Furthermore, the relative speedup over the naive serial implementation continues to increase beyond simple FM to more advanced structures. Further observations include comparisons between integrated and discrete GPUs, toggling optimizations, and scaling evolutionary strategy population size.
Particle‐in‐cell/Monte Carlo‐simulation of the discharge in helium initiated by a relativistic electron beam in the chamber with a magnetic mirror
Authors: Dubinov Alexander E. , Tarakanov Vladimir P. 
Published: January 2022

AbstractA gas discharge is simulated and numerically studied in the gaseous helium in the region of the squeezed state of a single tubular magnetized relativistic electron beam at its partial reflection from a magnetic mirror. The code based on the particle‐in‐cell/Monte Carlo method was used. The electron beam dynamics, time evolution of phase portraits of particles, physical parameters, and spatial–time characteristics of plasma were calculated. It is shown that dense plasma appears in the cavity under the action of an electron beam in the form of a thin‐walled long cylinder of a large length; its electron concentration can be several units of 1011 cm−3. At the same time, it turned out that plasma is considerably inhomogeneous in length; its more dense part corresponds to the part of the squeezed state of a beam. The time dependence of the charge compensation of electrons on the helium atom concentration in the chamber was calculated. The dependence turned out to be decreasing since the rate of discharge development is increasing with the growth of the helium pressure in the cavity.