bluuebunny/crossref_metadata_2025_split huggingface dataset:
Molecular characterization of known and novel ACVR1 variants in phenotypes of aberrant ossification
Authors: Gupta Aditi , Zimmermann Michael T. , Wang Haitao , Broski Stephen M. , Sigafoos Ashley N. , Macklin Sarah K. , Urrutia Raul A. , Clark Karl J. , Atwal Paldeep S. , Pignolo Robert J. , Klee Eric W. 
Published: June 2019

AbstractDiffuse idiopathic skeletal hyperostosis (DISH) is a disorder principally characterized by calcification and ossification of spinal ligaments and entheses. Fibrodysplasia ossificans progressiva (FOP) is a rare autosomal dominant disabling disorder characterized by progressive ossification of skeletal muscle, fascia, tendons, and ligaments. These conditions manifest phenotypic overlap in the ossification of tendons and ligaments. We describe herein a patient with DISH, exhibiting heterotopic ossification of the posterior longitudinal ligament where clinical whole exome sequencing identified a variant within ACVR1, a gene implicated in FOP. This variant, p.K400E, is a novel variant, not identified previously, and occurs in a highly conserved region across orthologs. We used sequence‐based predicative algorithms, molecular modeling, and molecular dynamics simulations, to test the potential for p.K400E to alter the structure and dynamics of ACVR1. We applied the same modeling and simulation methods to established FOP variants, to identify the detailed effects that they have on the ACVR1 protein, as well as to act as positive controls against which the effects of p.K400E could be evaluated. Our in silico molecular analyses support p.K400E as altering the behavior of ACVR1. In addition, functional testing to measure the effect of this variant on BMP‐pSMAD 1/5/8 target genes was carried out which revealed this variant to cause increased ID1 and Msx2 expression compared with the wild‐type receptor. This analysis supports the potential for the variant of uncertain significance to contribute to the patient's phenotype.
High Glass‐Transition Temperature Polymer Networks Harnessing the Dynamic Ring Opening of Pinacol Boronates
Authors: Brunet Juliette , Collas Franck , Humbert Matthieu , Perrin Lionel , Brunel Fabrice , Lacôte Emmanuel , Montarnal Damien , Raynaud Jean 
Published: June 2019

AbstractDifferential scanning calorimetry of high molar mass poly(4‐vinylphenylboronic acid, pinacol ester)s evidenced unusual reactive events above 120 °C, resulting in a high glass‐transition temperature of 220 °C. A reversible ring‐opening reactivity of pinacol boronates is proposed, involving a nucleophilic attack on the sp2 boron and subsequent bridging between boron atoms by interconnected pinacol moieties to form a densely crosslinked network with high Tg. FTIR, solid‐state NMR investigations, and rheology studies on the polymer as well as double‐tagging analyses on molecular model structures and theoretical calculations further support this hypothesis and indicate a ring‐opening inducing crosslinking. When diluted in an apolar solvent such as toluene, the polymer network can be resolubilized via ring closing, thus recovering the entropically favored linear chains featuring cyclic boronate esters.
Bond‐Strengthening Backdonation in Aminoborylene‐Stabilized Aminoborylenes: At the Intersection of Borylenes and Diborenes
Authors: Pranckevicius Conor , Herok Christoph , Fantuzzi Felipe , Engels Bernd , Braunschweig Holger 
Published: June 2019

AbstractSingly NHC‐coordinated (aminoboryl)aminoborenium salts react with Na2[Fe(CO)4] to yield stable coordination complexes of aminoborylene‐stabilized aminoborylenes, which exhibit exceptional σ‐donor properties. Upon photolytic CO extrusion from the metal center, the diboron ligand adopts a novel η3‐BBN coordination mode, where bond‐strengthening backdonation from the metal center into the vacant B−B π‐orbital is observed. This bonding situation can be alternatively described as a Fe‐diaminodiborene complex. In a related reduction of CAAC‐stabilized (aminoboryl)aminoborenium with KC8, the reduced species can be captured with nucleophiles to form three‐coordinate (diaminoboryl)borylenes, where both amino groups have migrated to the distal boron atom. Collectively, these reactions illustrate the isomeric flexibility imparted by amino groups on this reduced diboron system, thus opening multiple avenues of novel reactivity.
Triphenylamine and carbazole‐modified iridiumIII2‐phenylpyridine complexes: Synthesis, anticaner application and targeted research
Authors: Chen Shujiao , Liu Xicheng , Tian Zhenzhen , Ge Xingxing , Hao Hailong , Hao Yingying , Zhang Ying , Xie Yaoqi , Tian Laijin , Liu Zhe 
Published: June 2019

Four half‐sandwich iridiumIII (IrIII) triphenylamine or carbazole‐modified 2‐phenylpyridine (TPA/Cz‐PhPy) complexes ([(η5‐Cp*)Ir(C^N)Cl]) were synthesized and characterized. Compared with cisplatin, these complexes show higher activity to A549, HepG2 and HeLa cells, with the IC50 values changed from 2.5 ± 0.1 μM to 14.8 ± 2.6 μM. Additionally, complexes could effectively prevent the migration of cancer cells. IrIII TPA/Cz‐PhPy complexes could bind to protein and transport through serum protein, catalyze the oxidation of nicotinamide‐adenine dinucleotid (NADH) and induce the accumulation of reactive oxygen species, and eventually lead to apoptosis, which was also confirmed by flow cytometry. Moreover, prominent targeted fluorescence property confirmed that IrIII TPA/Cz‐PhPy complexes were involved in non‐energy dependent intracellular uptake mechanism, effectively accumulated in lysosomes and damage the integrity of acidic lysosomes, and eventually induce cell death. Above all, TPA/Cz‐appended half‐sandwich IrIII phenylpyridine complexes are promising anticancer agents with dual functions, including migration inhibition and lysosomal damage.
Ganglia in the Human Fetal Lung
Authors: Cho Kwang Ho , Kim Ji Hyun , Jin Zhe Wu , Abe Hiroshi , Murakami Gen , Rodríguez‐Vázquez Jose Francisco 
Published: June 2019

ABSTRACTAlthough pulmonary ganglia were considered to be an analogue of the myenteric ganglia of intestines in embryos, there seemed to be no morphological evaluation in the later stage of development. We conducted immunostainings of intrapulmonary nerves using 17 human fetuses at 14–18 and 28–34 weeks. The ganglion cells were small (15–20 μm in diameter) in the earlier group, but they increased in size (20–30 μm) in the late group. One ganglion, containing 5–30 cell bodies, was usually located “outside” of the bronchial smooth muscle or cartilage. In addition, a few ganglion was found beneath the mucosa of the trachea and principal bronchi. The highest density of ganglia (5–15 ganglia per section with 50 μm interval) was found at the origin of the subsegmental bronchi, but ganglia were absent along more peripheral bronchi those are responsible for contraction and obstruction of the airway. Therefore, in topographical relation between smooth muscle and nerve, intrapulmonary intrinsic neurons were different from intestinal myenteric neurons. Consequently, a previous hypothesis of “embryonic intramuscular bronchial ganglia” seemed not to be based on observations of the peripheral bronchus but on the central bronchus than the sub‐subsegmental level. An extrinsic migration and redistribution of ganglia might occur at midterm to provide the final location outside of airway smooth muscles. Finally, no ganglion cell bodies were positive either for neuronal nitric oxide synthase or tyrosine hydroxylase. Instead of the classical entity of autonomic nerves, nonadrenergic noncholinergic (NANC) innervation might be dominant even in fetuses. Anat Rec, 302:2233–2244, 2019. © 2019 American Association for Anatomy
Identification of sulfonyl‐loxoprofen as novel phase 2 conjugate in rat
Authors: Shrestha Riya , Paudel Sanjita , Cho Piljoung , Shrestha Aarajana , Jeong Tae Cheon , Lee Eung‐Seok , Lee Taeho , Lee Sangkyu 
Published: June 2019

AbstractLoxoprofen is a prodrug that exerts strong analgesic and anti‐inflammatory effects through its active trans‐alcohol metabolite, which is produced in the liver by carbonyl reductase. Previous metabolic studies have evaluated loxoprofen, but its sulfate and taurine conjugates have not yet been studied. We characterized the metabolomic profile of loxoprofen in rat plasma, urine, and feces using high‐resolution mass spectrometry. We identified 17 metabolites of loxoprofen in the three different biological matrices, 13 of which were detected in plasma and feces and 16 in urine. Amongst these metabolites, two novel taurine conjugates (M12 and M13) and two novel acyl glucuronides (M14, M15) were identified for the first time in rats. In addition, we detected three novel sulfate conjugates (M9, M10, and M11) of loxoprofen. Further study of these metabolites of loxoprofen is essential in order to assess their potency and toxicity.
Artemisia magellanica. Chemical Composition of the Essential Oil from an Unexplored Endemic Species of Patagonia
Authors: González Silvia B. , Gastaldi Bruno , Catalán César , Di Leo Lira Paola , Retta Daiana , van Baren Catalina M. , Bandoni Arnaldo L. 
Published: June 2019

AbstractThe essential oil composition of the aerial parts of Artemisia magellanica Sch. Bip. (Asteraceae), native to Patagonia, was analyzed by GC‐FID‐MS. This is the first report on the essential oil composition of A. magellanica. A total of 113 components were identified accounting for 95.6–95.7 % of the oil. The essential oil was characterized by a high percentage of γ‐costol (21.0–43.5 %), selina‐4,11‐diene, (Z)‐β‐ocimene, (E)‐β‐farnesene, (Z)‐en‐yn‐dicycloether and 23 different esters (28.7 %). In turn, Artemisia biennis, a species native to North America, which is considered by some authors to be conspecific with A. magellanica, yielded an essential oil that was rich in (Z)‐β‐ocimene (34.7 %), (E)‐β‐farnesene (40.0 %) and the acetylenes (Z)‐ and (E)‐en‐yn‐dicycloethers (11.0 %). Thus, as A. biennis lacks the three main components present in A. magellanica, namely γ‐costol, 2‐methylbutyl 2‐methylbutyrate and selina‐4,11‐diene, these compounds could be considered as potential chemical markers for A. magellanica since they are absent or only found as minor constituents in other members of the genus. The data presented herein is also useful for genus taxonomy.
Melanogenesis Inhibitors from the Endophytic Fungus Aspergillus amstelodami
Authors: Elsbaey Marwa , Sallam Amal , El‐Metwally Mohamed , Nagata Maki , Tanaka Chiaki , Shimizu Kuniyoshi , Miyamoto Tomofumi 
Published: June 2019

AbstractTwo new compounds, named 3,4‐dimethoxyphenyl α‐d‐ribofuranoside (1) and 3β‐(β‐d‐glucopyranosyloxy)olean‐12‐ene‐23,28,30‐trioic acid (2), together with thirteen known compounds, were isolated from the white beans culture of the marine derived endophytic fungus Aspergillus amstelodami. Structure elucidation of the new compounds was carried out by one‐, two‐dimensional spectroscopy, and high resolution electrospray ionization mass. The antimelanogenic and anti‐allergic activity of the isolated compounds were investigated. Compounds 4, 7, 1, 3, 11, 6 and 9 selectively suppressed melanin production in B16 melanoma cells, using arbutin as a positive control. Their IC50 values were 30.8±5.57, 38.5±6.08, 52.6±6.64, 98.0±1.16, 100.4±3.05, 112.0±0.22 and 144.7±2.35 μm, respectively, while that of arbutin was 151.7±1.27 μm. The tested compounds did not show any significant anti‐allergic activity in RBL‐2H3 cells, as compared to quercetin.
Competency‐based education: Multiple approaches‐a single institution
Authors: Hagan‐Short Michelle , Addison Paul 
Published: June 2019

AbstractThe purpose of this paper was to describe the development of two competency‐based curricula for existing programs at the largest community college with single accreditation serving nearly 160,000 students each year. Utilizing a competency framework and industry partners, program level and students level outcomes were defined to adequately prepare students to meet industry needs. Although the programs were developed and assessed differently, each captured the spirit of competency‐based education, which is to provide a flexible learning environment focusing on mastery of academic content through assessments, regardless of time, pace, or place of learning. This paper identifies how a single institution that already provides a variety of alternative delivery modes to meet student needs can successfully develop competency‐based initiatives in two very different ways. The development effort was realized through exemplary partnerships with local businesses, industries, and other educational institutions. Although the development of the content was completed and piloted, events related to the learning management platform's availability along with difficulties in administering the program, due to exceptions in procedure, resulted in an indefinite suspension of the program. The paper further discusses the need for capital, administrative support, and an understanding of processes and approvals of accrediting organizations and the Department of Education.
Boosting Aqueous Zn2+ Storage in 1,4,5,8‐Naphthalenetetracarboxylic Dianhydride through Nitrogen Substitution
Authors: Wang Xiaoshuang , Chen Ling , Lu Feng , Liu Jingyan , Chen Xiangcheng , Shao Guangjie 
Published: June 2019

AbstractThe research of organic materials thrives for lithium‐ion and sodium‐ion batteries but lacks for aqueous Zn2+ batteries. Herein, we prepared 1,4,5,8‐naphthalene diimide (NTCDI), which is derived from 1,4,5,8‐naphthalenetetracarboxylic dianhydride, through nitrogen substitution with the assistance of ammonia solution. NTCDI is first applied in aqueous Zn2+ batteries, which can give a high reversible capacity of 240 mAh g−1 at 0.1 A g−1. The electrochemical kinetics analysis indicates that the diffusion‐control process dominates in the electrode reaction. NTCDI can keep 73.7 % of the initial capacity of 152 mAh g−1 after 2000 continuous charge/discharge cycles at 1 A g−1, showing great potential for zinc storage.
From 3D to 2D Transition Metal Nitroprussides by Selective Rupture of Axial Bonds
Authors: Ávila Yosuan , Osiry Hernández , Plasencia Yosdel , Torres Ana E. , González Marlene , Lemus‐Santana Ana A. , Reguera Edilso 
Published: June 2019

Abstract1‐methyl‐2‐pyrrolidone (1m2p) is a solvent with proven abilities for 2D‐solid exfoliation due to its extremely high surface tension. In principle, such a feature could be used also to induce the selective breaking of certain bonds in solids to obtain new materials. Such a hypothesis is demonstrated in this study for transition metal nitroprussides, where 2D solids are obtained from 3D frameworks by selective rupture of axial bonds. This contribution discusses the mechanism involved in such molecular manufacture. The crystal structure for the formed 2D solids was solved and refined from XRD powder patterns recorded using synchrotron radiation. Mössbauer, IR and Raman spectra provided fine details on the electronic structure of the resulting new series of layered materials. The experimental information was complemented with calculations for the molecule configuration in its non‐activated and activated forms. In the obtained 2D solids, neighboring layers of about 1 nm of thickness remain separated by activated 1m2p molecules. The interaction between neighboring layers is of a physical nature, without the presence of a chemical bond between them, as corresponds to a 2D material.
Isolation of an N‐Heterocyclic Carbene Complex of a Borasilene
Authors: Franz Daniel , Szilvási Tibor , Pöthig Alexander , Inoue Shigeyoshi 
Published: June 2019

AbstractBorasilenes, that is complexes which contain a boron–silicon double bond, have scarcely been isolated to date. In pursuit of such species, (Me3Si)3SiB(Cl)NHI (2, NHI=bulky N‐heterocyclic imine) was prepared and treated with KOtBu to achieve formal extrusion of ClSiMe3. The formation of an elusive borasilene (3int) is postulated and it was verified by isolation of the N‐heterocyclic carbene adduct (Me3Si)2SiB(I
)NHI (4, I
=1,3,4,5‐tetramethyl‐imidazolin‐2‐ylidene). X‐ray crystallographic study and theoretical calculations on 4 diagnosed a boron–silicon double bond with marked zwitterionic character. The negative charge resides at the Si atom which marks the apex of a trigonal pyramid. Structural comparison of 4 with boron cation congeners (5+, 6+) suggests that the positive charge is mainly located at the trigonal planar‐coordinated B center. The conversion of 4 with pinacolborane (HBpin, 2 equiv) resulted in cleavage of the double bond to produce (Me3Si)2Si(Bpin)2 and (NHI)BH2(I
).
Allium sativum extract as an irrigant in pulpectomy of primary molars: A 12‐month short‐term evaluation
Authors: Elheeny Ahmad Abdel Hamid 
Published: June 2019

AbstractThis study indented to assess the clinical and radiographic assessment of Allium sativum extract as an intracanal irrigant for pulpectomy of primary molars. Ninety children with 110 teeth submitted were categorized into two groups. Clinical and radiographic success rates were checked at 3, 6, and 12 months. Qui‐square test at a level of significance was ˂0.05. There was no statistically significant difference (p ˂ .05) between the two groups that has not been detected clinically or radiographically. Clinical and radiographic success rates of garlic extract at 3 months were (80% and 72.7%), which declined at 6 and 12 months to be 76.4% 6 and 74.5% respectively. For NaOCl group, clinical and radiographic success rates were 87.3% and 85.5% at 3 months, 87.3% and 87.3% at 6 months and 89.1% and 87.3% at 12 months. A. sativum extract can be used efficiently as an irrigant for pulpectomy of primary molar root canals.
α‐Alkylation of Ketones with Secondary Alcohols Catalyzed by Well‐Defined Cp*CoIII‐Complexes
Authors: Chakraborty Priyanka , Gangwar Manoj Kumar , Emayavaramban Balakumar , Manoury Eric , Poli Rinaldo , Sundararaju Basker 
Published: June 2019

AbstractAlthough α‐alkylation of ketones with primary alcohols by transition‐metal catalysis is well‐known, the same process with secondary alcohols is arduous and complicated by self‐condensation. Herein a well‐defined, high‐valence cobalt(III)‐catalyst was applied for successful α‐alkylation of ketones with secondary alcohols. A wide‐variety of secondary alcohols, which include cyclic, acyclic, symmetrical, and unsymmetrical compounds, was employed as alkylating agents to produce β‐alkyl aryl ketones.
Carbon Materials as Phase‐Transfer Promoters for Obtaining 5‐Hydroxymethylfurfural from Cellulose in a Biphasic System
Authors: Faba Laura , Garcés Diego , Díaz Eva , Ordóñez Salvador 
Published: June 2019

AbstractDifferent carbonaceous materials were tested as mass‐transfer promoters for increasing the yield of 5‐hydroxymethylfurfural (5‐HMF) in biphasic cellulose hydrolysis. The benefits of working with a biphasic system (water/methyl isobutyl ketone) under soft acid conditions were taken as starting point (no humins or levulinic acid production), with slow extraction kinetics as the weakest point of this approach. Carbon nanotubes (CNTs) and activated carbon (AC) were proposed to improve 5‐HMF liquid–liquid mass transfer. A kinetic analysis of the extraction process indicated the competition between 5‐HMF and glucose adsorption as the main cause of the poor results obtained with AC. In contrast, very promising results were obtained with CNTs, mainly at 1.5 wt % loading, with complete transfer of HMF and a high global mass‐transfer coefficient. The use of CNTs improved the amount of 5‐HMF in the organic phase by more than 270 %.
Indoor condensation prediction based on a surface temperature estimation
Authors: Hwang Kwang‐il , Jeong Young‐Sik , Han Jeakyung 
Published: June 2019

SummarySince indoor condensation occurs for a variety of complex reasons, it is difficult to find a fundamental solution to prevent it. Indoor condensation, which is caused by environmental changes (an increase in internal humidity or a low ambient temperature), is difficult to prevent in an occupied residential structure based on the design of the structure. In this paper, we propose a new model for predicting indoor dew condensation that occurs in a residential environment with IoT technology. First, a basic dataset in the condensation environment is collected through a test bed, and a surface temperature estimation method that uses the machine learning model used to evaluate the dataset. In addition to the surface temperature estimation technique, which achieves a low RMSE of 0.97 in the field test, an associated condensation time prediction algorithm is proposed. The proposed method is a new method for determining the intersection point between two temperature changes based on the real‐time rate of change of the surface temperature and the dew point temperature. The high condensation prediction accuracy of the proposed method is experimentally demonstrated.
Synergistic terpene combinations as larvicides against the dengue vector Aedes aegypti Linn.
Authors: Dhinakaran Sivajaya Ragul , Mathew Nisha , Munusamy Sundharesan 
Published: June 2019

AbstractMost of the essential oils (EO) known for mosquitocidal activity contain terpenes as part of their chemical constituents. In this study, four monoterpenes namely γ‐terpinene (T), R‐(+)‐limonene (L), carvacrol (C), and trans‐anethole (A) were screened against late third instar Aedes aegypti Linn. larvae singly and in combination to find out the synergistic interaction. The monoterpenes γ‐terpinene, R‐(+)‐limonene, trans‐anethole, and carvacrol showed larvicidal activity with LC50 values of 9.76, 11.88, 50.19, 48.57 ppm and LC90 values of 16.99, 17.78, 65.21, 75.02 ppm, respectively for Ae. aegypti when tested individually. Prepared binary combinations at LC20 values and studied the synergistic interactions based on cotoxicity factor (CTF) and found that all the binary combinations showed synergistic interactions (CTF > 20). Further, the binary (1:1), ternary (1:1:1), and quaternary (1:1:1:1) terpene combinations on equal weight basis were prepared, evaluated against Ae. aegypti larvae and synergistic interactions were studied by Wadley's method. Among the eight combinations two combinations viz. LC (LC5010.42 ppm) and LA (LC5011.86 ppm) were showing synergistic interactions (R > 1.5) and others were exhibiting additive effect (1.5 ≥ R > 0.5) and none of the combinations showed antagonism (R < 0.5). Among the two methods used the Wadley's method found suitable when combinations were made on an equal weight basis. The two binary combinations found in this study are promising synergistic mixtures which has scope in designing mosquito larvicidal EOs by enriching the EOs with terpenes or by producing EO combinations with these terpenes as chemical constituents in the correct proportions.