bluuebunny/crossref_metadata_2025_split huggingface dataset:
Total Synthesis of (+)‐Cornexistin
Authors: Steinborn Christian , Wildermuth Raphael E. , Barber David M. , Magauer Thomas 
Published: June 2020

AbstractHerein, we describe the first total synthesis of (+)‐cornexistin as well as its 8‐epi‐isomer starting from malic acid. The robust and scalable route features a Nozaki–Hiyama–Kishi reaction, an auxiliary‐controlled syn‐Evans‐aldol reaction, and a highly efficient intramolecular alkylation to form the nine‐membered carbocycle. The delicate maleic anhydride moiety of the nonadride skeleton was constructed from a β‐keto nitrile. The developed route enabled the synthesis of 165 mg (+)‐cornexistin.
Ir‐Catalyzed Enantioconvergent Synthesis of Diversely Protected Allenylic Amines Employing Ammonia Surrogates
Authors: Glatz Fabian , Petrone David A. , Carreira Erick M. 
Published: June 2020

AbstractThe first iridium catalyzed, enantioconvergent amination of allenylic carbonates is reported. This process utilizes various commercially available carbamates and sulfonamides to generate allenylic amines including commonly employed protected groups (Boc, Fmoc, Cbz, Ts, Ns) in 62–82 % yield and 87–98 % ee. The products generated through this scalable procedure serve as effective linchpins for the rapid, enantiospecific synthesis of a wide range of complex structures.
Graphdiyne:Structure of Fluorescent Quantum Dots
Authors: Guo Jie , Guo Mengyu , Wang Fuhui , Jin Weiyue , Chen Chunying , Liu Huibiao , Li Yuliang 
Published: June 2020

AbstractGraphdiyne (GDY) as an emerging two‐dimensional carbon allotrope exhibits excellent performance in energy chemistry, catalytic chemistry, optoelectronics, electronics, etc. because of the unique structure combining an sp‐ and sp2‐hybrid carbon network. However, the poor solubility of pristine GDY is a major obstacle to its applications in many fields. Proposed here is a facile strategy to control the preparation of GDY quantum dots (GDY‐Py QDs), in which pyrene groups are covalently linked to GDY by using a Sonogashira cross‐coupling reaction. The as‐prepared GDY‐Py QDs, with an average diameter of about 3±0.1 nm, show superior dispersibility in many organic solvents and water. The GDY‐Py QDs display not only bright fluorescent with a high relative quantum yield (QY) of 42.82 %, but they are also well‐behaved as contrast agents in cell imaging. The GDY‐Py QDs are bestowed with high stability and non‐cytotoxicity, and exhibit long fluorescent times, and have potential for optical imaging and biomedical applications.
An Adduct of Sulfur Monoxide to a Frustrated Sn/P Lewis Pair
Authors: Holtkamp Philipp , Glodde Timo , Poier Dario , Neumann Beate , Stammler Hans‐Georg , Mitzel Norbert W. 
Published: June 2020

AbstractThe geminal frustrated Lewis pair (F5C2)3SnCH2P(tBu)2 (1) reacted with N‐sulfinylaniline PhNSO to afford the first sulfur monoxide adduct of a main group metal, (F5C2)3SnCH2P(tBu)2⋅SO (2), which contains a SnCPSO ring. The second product is a phenylnitrene adduct of 1. The surprising stability of 2 was compared with the stabilities of the so far inaccessible O2 and S2 adducts of 1. Attempts to prepare these from 1 and the elemental chalcogens (O2, S8, Se∞, Te∞) led to four‐membered SnCPE ring systems. Quantum‐chemical investigations of 2 demonstrate the bond polarity of the SO unit to stabilize 2.
Expression and alternative splicing analysis of a large‐conductance calcium‐activated potassium channel gene in Plutella xylostella
Authors: Xu Jie , Ma Hai‐Hao , Liu Zhe‐Ming , Zheng Wei , Lai Xiao‐Yi , Zhu Hang , Liu Jia , Zhou Yong , Zhou Xiao‐Mao 
Published: June 2020

AbstractThe large‐conductance calcium‐activated potassium channel (BKCa) plays an important role in the regulation of insect neural circuits and locomotion, and thus is a potential target of insecticides. In this study, iberiotoxin, an inhibitor of BKCa, was found to prolong the anesthetic time of ethyl acetate on Plutella xylostella larvae. Therefore, the coding sequence of slowpoke gene coding the alpha subunit of BKCa was cloned to investigate the function of this channel in P. xylostella, and the gene expression profile in the developmental stages and tissues was also characterized. The total length of pxslo DNA was more than 19.9 kb, which harbored four alternative splicing sites (ASP‐A, ASP‐C, ASP‐E, and ASP‐G), and the coding sequence of pxslo with the highest frequency of splicing (GenBank ID: MN938456) was 3,405 base pair. The characterized PxSlo protein contained conserved domains previously identified in other insects. Quantitative reverse transcription‐polymerase chain reaction analysis showed that pxslo was expressed in all the developmental stages of P. xylostella, with the highest level in adults. In the larval stage, pxslo was mainly expressed in the head and epidermis, while a limited protein was expressed in the midgut. In the adult stage, pxslo was highly expressed in the head, followed by in the ovarian tubule, and was not expressed in the testis or wings. These results suggest that BKCa plays an important physiological role in P. xylostella and provides useful information for the functional study and screening of BKCa inhibitors.
Probing the Interaction between HIV‐1 Protease and the Homodimeric p66/p66’ Reverse Transcriptase Precursor by Double Electron‐Electron Resonance EPR Spectroscopy
Authors: Schmidt Thomas , Louis John M. , Clore G. Marius 
Published: June 2020

AbstractFollowing excision from the Gag‐Pol polyprotein, HIV‐1 reverse transcriptase is released as an asymmetric homodimer comprising two p66 subunits that are structurally dissimilar but identical in amino acid sequence. Subsequent cleavage of the RNase H domain from only one of the subunits, denoted p66′, results in the formation of the mature p66/p51 enzyme in which catalytic activity resides in the p66 subunit, and the p51 subunit (derived from p66′) provides a supporting structural scaffold. Here, we probe the interaction of the p66/p66′ asymmetric reverse transcriptase precursor with HIV‐1 protease by pulsed Q‐band double electron‐electron resonance EPR spectroscopy to measure distances between nitroxide labels introduced at surface‐engineered cysteine residues. The data suggest that the flexible, exposed linker between the RNaseH and connection domains in the open state of the p66′ subunit binds to the active site of protease in a configuration that is similar to that of extended peptide substrates.
Multiple Chemical Features Impact Biological Performance Diversity of a Highly Active Natural Product‐Inspired Library
Authors: Hippman Ryan S. , Pavlinov Ivan , Gao Qiwen , Mavlyanova Michelle K. , Gerlach Erica M. , Aldrich Leslie N. 
Published: June 2020

AbstractA systematic, diversity‐oriented synthesis approach was employed to access a natural product‐inspired flavonoid library with diverse chemical features, including chemical properties, scaffold, stereochemistry, and appendages. Using Cell Painting, the effects of these diversity elements were evaluated, and multiple chemical features that predict biological performance diversity were identified. Scaffold identity appears to be the dominant predictor of performance diversity, but stereochemistry and appendages also contribute to a lesser degree. In addition, the diversity of chemical properties contributed to performance diversity, and the driving chemical property was dependent on the scaffold. These results highlight the importance of key chemical features that may inform the creation of small‐molecule, performance‐diverse libraries to improve the efficiency and success of high‐throughput screening campaigns.
A case of congenital tuberculosis with a favorable outcome in a full term neonate
Authors: Varimo Tero , Nieminen Tea , Aronniemi Johanna , Kekomäki Satu , Teivaanmäki Tiina , Metsäranta Marjo 
Published: June 2020

AbstractThis case of congenital tuberculosis (TB) emphasizes that TB should be suspected in newborns whose parents are from areas with high incidence of TB or who present with symptoms of an infection unresponsive to wide‐spectrum antibiotics.
Noncovalent Intermolecular Interaction in Cofacially Stacked 24π Antiaromatic Hexaphyrin Dimer
Authors: Kim Gakhyun , Dutta Ranjan , Cha Won‐Young , Hong Seong‐Jin , Oh Juwon , Firmansyah Dikhi , Jo Hongil , Ok Kang Min , Lee Chang‐Hee , Kim Dongho 
Published: June 2020

Abstractπ–π Stacking is omnipresent not only in nature but in a wide variety of practical fields applied to our lives. Because of its importance in a performance of natural and artificial systems, such as light harvesting system and working layer in device, many researchers have put intensive effort into identifying its underlying nature. However, for the case of π–π stacked systems composed of antiaromatic units, the understanding of the fundamental mechanisms is still unclear. Herein, we synthesized a new type of planar β,β’‐phenylene‐bridged hexaphyrin (1.0.1.0.1.0), referred as naphthorosarin which possesses the 24π‐electron conjugated pathway. Especially, the corresponding antiaromatic porphyrinoid shows the unique property to form dimeric species adopting the face‐to‐face geometry which is unprecedented in cases of known annulated naphthorosarins. In order to elucidate the intriguing properties derived from the stacked dimer, the current study focuses on the experimental support to rationalize the observed π–π interactions between the two subunits.
The contribution of multiple barriers to reproduction between edaphically divergent lineages in the Amazonian tree Protium subserratum (Burseraceae)
Authors: Misiewicz Tracy M. , Simmons Tracey S. , Fine Paul V. A. 
Published: June 2020

AbstractDisentangling the strength and importance of barriers to reproduction that arise between diverging lineages is central to our understanding of species origin and maintenance. To date, the vast majority of studies investigating the importance of different barriers to reproduction in plants have focused on short‐lived temperate taxa while studies of reproductive isolation in trees and tropical taxa are rare. Here, we systematically examine multiple barriers to reproduction in an Amazonian tree, Protium subserratum (Burseraceae) with diverging lineages of soil specialist ecotypes. Using observational, molecular, distributional, and experimental data, we aimed to quantify the contributions of individual prezygotic and postzygotic barriers including ecogeographic isolation, flowering phenology, pollinator assemblage, pollen adhesion, pollen germination, pollen tube growth, seed development, and hybrid fitness to total reproductive isolation between the ecotypes. We were able to identify five potential barriers to reproduction including ecogeographic isolation, phenological differences, differences in pollinator assemblages, differential pollen adhesion, and low levels of hybrid seed development. We demonstrate that ecogeographic isolation is a strong and that a combination of intrinsic and extrinsic prezygotic and postzygotic barriers may be acting to maintain near complete reproductive isolation between edaphically divergent populations of the tropical tree, P. subserratum.
Microscopic pulmonary tumor embolism from adenocarcinoma of the prostate
Authors: Hattori Tatsuya , Ikegami Yosuke , Matsuyama Nayuka , Hamakawa Takashi , Maruyama Tetsuji , Naiki‐Ito Aya , Yasui Takahiro 
Published: June 2020

IntroductionMicroscopic pulmonary tumor embolisms from prostate cancer are extremely rare. In this case of prostate cancer, microscopic pulmonary tumor embolism developed during androgen deprivation therapy.Case presentationA 56‐year‐old man was diagnosed with prostate cancer and underwent androgen deprivation therapy. Three months after starting treatment, he noticed shortness of breath and developed acute progressive dyspnea. He was diagnosed with pulmonary hypertension; however, the cause was not found. His dyspnea was progressive and he died 40 days after the onset of symptoms. Autopsy proved that the cause of pulmonary hypertension was microscopic pulmonary tumor emboli from prostate cancer. Furthermore, histology revealed differences in the androgen receptors in the prostate and emboli, with significantly greater Ki‐67 expression in the emboli than in the prostate.ConclusionProstate cancer proliferated in the pulmonary artery after hematogenous metastasis, caused vascular occlusion, and formed microscopic pulmonary tumor embolisms.
Incidence of anticoagulation medication prescribing errors in patients discharged from the emergency department
Authors: Gregory Haili , Cantley Morgan , Hall Gregory A. , Matuskowitz Andrew J. , Weant Kyle A. 
Published: June 2020

AbstractIntroductionIt is well‐known that the Emergency Department (ED) is an area at high risk for medication errors due to several factors including providing care to unfamiliar patients in a high‐stress environment and relying heavily on verbal orders.ObjectivesThis primary objective of this study was to characterize the incidence and describe the impact of medication errors that occur within anticoagulation prescriptions written for patients who are discharged from the ED.MethodsAnticoagulation prescriptions written to patients discharged from the adult ED at a large academic medical center between January 1, 2015 and August 1, 2018 were retrospectively evaluated to identify and characterize errors. Errors identified included dosing errors for the indication, dosing adjustment errors, incorrect quantity, refills given inappropriately, and readmission rate due to errors.ResultsA total of 797 prescriptions for anticoagulation medications were reviewed and a total of 392 errors were identified within 321 (40.3%) prescriptions. Of the errors identified, 88 (22.4%) were an error in dose for the indication, 83 (21.2%) were errors in dose adjustments based on patient‐specific factors, 81 (20.7%) were errors in quantity prescribed, and 140 (35.7%) were prescriptions written with refills. Prescriptions written by non‐emergency medicine residents had significantly more errors compared with attending physicians, emergency medicine residents, and advanced practice providers (P < .001 for all comparisons). Of the errors identified, 2 (0.6%) led to patient readmission.ConclusionAn error rate of 40.3% was identified among prescriptions for anticoagulation written for patients discharged from the ED. Limited literature exists evaluating anticoagulation errors for patients discharged from the ED, however these findings are consistent with available data. The findings of this study will aid in the development of targeted mitigation strategies in reducing anticoagulation prescribing errors for patients discharged from the ED.
Heterogeneous SO3H@Fe3O4 magnetic nanocatalyst as an efficient and reusable medium for the synthesis of 3,3′‐(arylmethylene)‐bis‐(4‐hydroxycoumarin), bis‐(indolyl)‐methane, and 1,8‐dioxo‐octahydroxanthene derivatives
Authors: Wu Xiaobo , Peng Wan‐Xi 
Published: June 2020

AbstractThis work aimed to synthesize a new heterogeneous catalyst (SO3H@Fe3O4 magnetic nanoparticles) and the study of its catalytic behavior in synthesizing 3,3′‐(arylmethylene)‐bis‐(4‐hydroxycoumarin), bis‐(indolyl)‐methane, and 1,8‐dioxo‐octahydroxanthene derivatives. The characterization of obtained material has been performed by means of Fourier‐transform infrared spectroscopy, thermogravimetric analysis, X‐ray diffraction, vibrating sample magnetometer, and transmission electron microscopy. The main properties of this new methodology, compared to earlier ones, are the short times of reaction, mild reaction conditions, simple recovery of the catalyst by permanent magnetic field, excellent yields, and reusability of the catalyst for a minimum of six runs.
Electron cloud spin generated by microring space‐time control circuit for 3D quantum printing
Authors: Arumona Arumona Edward , Punthawanunt Suphanchai , Ray Kanad , Phunklang Sirigiet , Yupapin Preecha 
Published: June 2020

AbstractA three‐dimensional (3D) quantum printing technique is proposed that uses electron spin cloud projections generated by microring‐embedded gold grating. A dark soliton pulse with a center wavelength of 1.50 μm excites the gold grating, leading to electron cloud oscillations. By using suitable parameters, the whispering gallery mode is obtained, which is the result of trapping light (electrons) inside the silicon microring. The plasma wave frequency is generated at the Bragg wavelength at which the electron density is obtained. The electron spin‐down and spin‐up forms the x‐axis and y‐axis along the propagation z‐axis. In this proposal, the propagation wave axis is applied to increase the printing resolution. The printing points are formed by the spin‐down, spin‐up, and no spin associated with [x, y, z] as [1, 0, −]. The electron spins are distinguished by the time sequence and by modulating with the Gaussian pulse of 1.30, 1.10, and 0.80 μm, from which the spin states of the electron can be detected and characterized. The shortest space‐time paradox gap is around 50 fs, which is the limitation of all measurements (observations). The electron transport spin projection is achieved with respect to the time function in which the 3D image is printed with a resolution of 50 fs (10−15 s). In application, the trapped electron densities within the circuit are made possible via wireless connection for long‐distance transmission.
Reliability and validity of a mobile home pelvic floor muscle trainer: The Elvie Trainer
Authors: Czyrnyj Catriona S. , Bérubé Marie‐Ève , Brooks Kaylee , Varette Kevin , McLean Linda 
Published: June 2020

AbstractAimsReliability and validity of force measurement and task detection by the Elvie Trainer were evaluated against an intravaginal dynamometer (IVD) and ultrasound (US) imaging.MethodsWomen were recruited from local physiotherapy clinics. At the first visit, pelvic floor muscle (PFM) strength and tone were assessed manually. Women performed two sets of three repetitions of rest, PFM maximal voluntary contraction (MVC), and maximal Valsalva maneuver (MVM) tasks in supine and standing, with the Elvie Trainer in situ. Women performed another set of rest and MVC repetitions with a custom IVD in situ. At the second visit, PFM strength and tone were reassessed manually. Women performed two sets of three repetitions of the rest, PFM MVC, and MVM tasks in supine and standing, with the Elvie Trainer in situ. Concurrent US imaging was then acquired during a final set of PFM MVC and MVM repetitions in supine and standing, while the Elvie Trainer remained in situ. Reliability was evaluated using intraclass correlation coefficients. Validity was evaluated using Spearman's/Pearson's correlations and receiver operator characteristic curves.ResultsThirty women participated in the study. The Elvie Trainer MVC force outcomes exhibited excellent within‐day and good between‐day reliability, but were significantly lower than IVD measures, and exhibited poor relationships with IVD force outcomes. The Elvie Trainer was able to specify correct/incorrect performance of a PFM MVC.ConclusionsThe Elvie Trainer exhibits acceptable within‐day and between‐day reliability and can detect the correct performance of PFM MVCs; however, force measurements are not valid indicators of PFM strength and should not be used to measure outcomes.
Bioinformatic Identification of a Breast‐Specific Transcript Profile
Authors: Chen Chen , Yang Liwen , Rivandi Mahdi , Franken André , Fehm Tanja , Neubauer Hans 
Published: June 2020

PurposeTo identify a breast‐specific transcript profile for the first time, and present an updated bioinformatics strategy for searching tissue‐specific transcripts and predicting their significance in cancer.Experimental DesignThe RNA‐seq data of 49 311 transcripts in 88 human tissues from the GTEx, the Illumina Body Map, and the RIKEN FANTOM5 project are integrated to screen breast‐specific transcripts. Gene Expression Profiling Interactive Analysis, TGCA, and Kaplan–Meier Plotter are used to examine their expression in cancer tissues and values for prognosis prediction.ResultsOnly 96 transcripts in human genome are breast‐specific for women. Among them, ankyrin repeat domain 30A (ANKRD30A) and long intergenic non‐protein coding RNA 993 (LINC00993) are further analyzed. The two transcripts are also breast‐specific in 33 types of common female cancer and are often dysregulated in breast cancer tissues. Their expression is higher in the luminal breast cancer while significantly downregulated in triple‐negative breast cancer. Moreover, the high expression levels of ANKRD30A and LINC0993 in breast cancer tissues indicate a better prognosis of patients with breast cancer.Conclusions and Clinical RelevanceBreast‐specific transcripts in human genome are rare and poorly understood currently. The data indicate that these breast‐specific biomarkers are promising candidates for screening early cancer, assessing treatment response, monitoring recurrence, identifying metastatic tumor origin, and serving as potential targets for immunotherapy.
Improving business objectives by reducing testing in the transition from development to production
Authors: Dror Shuki 
Published: June 2020

AbstractThis work focuses on finding a balance between the requirements to maintain product initial failure rate and the need to improve business objectives. We build on quality function deployment (QFD) by developing an innovative methodology for reducing testing in the transition from development to production. The methodology allows the number of tests to be reduced, without increasing the risk of lowering product quality. Our methodology assumes that testing affects product initial failure rate and business objectives simultaneously. Hence, a QFD‐based methodology comprising two matrices is developed. Matrix 1 translates the desired improvement in the business objectives into the relative importance of the various test types. Matrix 2 translates the product failure improvement needs into the relative importance of the various test types. We implement the methodology in a company developing and manufacturing medical devices. We find that the events “vital tests concerning the business objectives” and “vital tests concerning the failures in products” are mutually exclusive. Hence, we can conclude that it is possible to achieve a significant reduction in the number of tests conducted on the medical devices. The results show that the tests that can be reduced are those that will not affect product initial failure rate but that do have a significant impact on business objectives.
The Promise of Nanopore Technology: Advances in the Discrimination of Protein Sequences and Chemical Modifications
Authors: Cressiot Benjamin , Bacri Laurent , Pelta Juan 
Published: June 2020

AbstractOnly a small percent of human genomic DNA encodes for proteins. Additionally, protein isoforms variants and chemical modifications are not coded in the genome read by the cell machinery. The resulting protein diversity is deeply involved in regular and diseased cellular processes. One challenge for the field of biotechnology, after human genome sequencing, will be to decipher the proteome at a single molecule scale to analyze single‐cell protein variability. In fact, cellular proteic information, often used as a source of biomarkers, is of great importance for early disease detection. This review discusses the proteome's complexity from its genetic source to fully modified proteins. It focuses on the principle of nanopore data analysis and how to obtain information from an electrical current trace. Specifically, the most recent developments in detection, sequencing and post‐translational discrimination of amino acids, peptides and proteins, are described. The main results obtained in this field are discussed and the nanopore techniques to other classical or single‐molecule approaches are compared.