bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Barrierless Pathway Accessing the C9H9 and C9H8 Potential Energy Surfaces via the Elementary Reaction of Benzene with 1-Propynyl
Authors: Thomas Aaron M. , Doddipatla Srinivas , Kaiser Ralf I. , Galimova Galiya R. , Mebel Alexander M. 
Published: November 2019

AbstractThe crossed molecular beams reactions of the 1-propynyl radical (CH3CC; X2A1) with benzene (C6H6; X1A1g) and D6-benzene (C6D6; X1A1g) were conducted to explore the formation of C9H8 isomers under single-collision conditions. The underlying reaction mechanisms were unravelled through the combination of the experimental data with electronic structure and statistical RRKM calculations. These data suggest the formation of 1-phenyl-1-propyne (C6H5CCCH3) via the barrierless addition of 1-propynyl to benzene forming a low-lying doublet C9H9 intermediate that dissociates by hydrogen atom emission via a tight transition state. In accordance with our experiments, RRKM calculations predict that the thermodynamically most stable isomer – the polycyclic aromatic hydrocarbon (PAH) indene – is not formed via this reaction. With all barriers lying below the energy of the reactants, this reaction is viable in the cold interstellar medium where several methyl-substituted molecules have been detected. Its underlying mechanism therefore advances our understanding of how methyl-substituted hydrocarbons can be formed under extreme conditions such as those found in the molecular cloud TMC-1. Implications for the chemistry of the 1-propynyl radical in astrophysical environments are also discussed.
Functional annotation of serine hydrolases in the asexual erythrocytic stage of Plasmodium falciparum
Authors: Elahi Rubayet , Ray W. Keith , Dapper Christie , Dalal Seema , Helm Richard F. , Klemba Michael 
Published: November 2019

AbstractEnzymes of the serine hydrolase superfamily are ubiquitous, highly versatile catalysts that mediate a wide variety of metabolic reactions in eukaryotic cells, while also being amenable to selective inhibition. We have employed a fluorophosphonate-based affinity capture probe and mass spectrometry to explore the expression profile and metabolic roles of the 56-member P. falciparum serine hydrolase superfamily in the asexual erythrocytic stage of P. falciparum. This approach provided a detailed census of active serine hydrolases in the asexual parasite, with identification of 21 active serine hydrolases from α/β hydrolase, patatin, and rhomboid protease families. To gain insight into their functional roles and substrates, the pan-lipase inhibitor isopropyl dodecylfluorophosphonate was employed for competitive activity-based protein profiling, leading to the identification of seven serine hydrolases with potential lipolytic activity. We demonstrated how a chemoproteomic approach can provide clues to the specificity of serine hydrolases by using a panel of neutral lipase inhibitors to identify an enzyme that reacts potently with a covalent monoacylglycerol lipase inhibitor. In combination with existing phenotypic data, our studies define a set of serine hydrolases that likely mediate critical metabolic reactions in asexual parasites and enable rational prioritization of future functional characterization and inhibitor development efforts.
Genome analyses of a placozoan rickettsial endosymbiont show a combination of mutualistic and parasitic traits
Authors: Kamm Kai , Osigus Hans-Jürgen , Stadler Peter F. , DeSalle Rob , Schierwater Bernd 
Published: November 2019

AbstractSymbiotic relationships between eukaryotic hosts and bacteria range from parasitism to mutualism and may deeply influence both partners’ fitness. The presence of intracellular bacteria in the metazoan phylum Placozoa has been reported several times, but without any knowledge about the nature of this relationship and possible implications for the placozoan holobiont. This information may be of crucial significance since little is known about placozoan ecology and how different species adapt to different environmental conditions, despite being almost invariable at the morphological level. We here report on the novel genome of the rickettsial endosymbiont of Trichoplax sp. H2 (strain “Panama”). The combination of eliminated and retained metabolic pathways of the bacterium indicates a potential for a mutualistic as well as for a parasitic relationship, whose outcome could depend on the environmental context. In particular we show that the endosymbiont is dependent on the host for growth and reproduction and that the latter could benefit from a supply with essential amino acids and important cofactors. These findings call for further studies to clarify the actual benefit for the placozoan host and to investigate a possible role of the endosymbiont for ecological separation between placozoan species.
Oxidative status and metabolic profile in a long-lived bird preparing for extreme endurance migration
Authors: Gutiérrez Jorge S. , Sabat Pablo , Castañeda Luis E. , Contreras Carolina , Navarrete Lucas , Peña-Villalobos Isaac , Navedo Juan G. 
Published: November 2019

AbstractThe high metabolic activity associated with endurance flights and intense fuelling of migrant birds may produce large quantities of reactive oxygen species, which cause oxidative damage. Yet it remains unknown how long-lived birds prepare for oxidative challenges prior to extreme flights. We combined blood measurements of oxidative status and enzyme and fat metabolism in Hudsonian godwits (Limosa haemastica, a long-lived shorebird) before they embarked on non-stop flights longer than 10,000 km during their northbound migrations. We found that godwits increased total antioxidant capacity (TAC) and reduced oxidative damage (TBARS) as the pre-migratory season progressed, despite higher basal metabolic rates before departure. Elevations in plasma β-hydroxybutyrate and uric acid suggest that lipid and protein breakdown supports energetic requirements prior to migration. Significant associations between blood mitochondrial cytochrome-c oxidase and plasma TAC (negative) and TBARS (positive) during winter indicate that greater enzyme activity can result in greater oxidative damage and antioxidant responses. However enzyme activity remained unchanged between winter and premigratory stages, so birds may be unable to adjust metabolic enzyme activity in anticipation of future demands. These results indicate that godwits enhance their oxidative status during migratory preparation, which might represent an adaptation to diminish the physiological costs of long-distance migration.
Hierarchical H-ZSM5 zeolites based on natural kaolinite as a high-performance catalyst for methanol to aromatic hydrocarbons conversion
Authors: Asghari Ahmad , Khorrami Mohammadreza Khanmohammadi , Kazemi Sayed Habib 
Published: November 2019

AbstractThe present work introduces a good prospect for the development of hierarchical catalysts with excellent catalytic performance in the methanol to aromatic hydrocarbons conversion (MTA) process. Hierarchical H-ZSM5 zeolites, with a tailored pore size and different Si/Al ratios, were synthesized directly using natural kaolin clay as a low-cost silica and aluminium resource. Further explored for the direct synthesis of hierarchical HZSM-5 structures was the steam assisted conversion (SAC) with a cost-effective and green affordable saccharide source of high fructose corn syrup (HFCS), as a secondary mesopore agent. The fabricated zeolites exhibiting good crystallinity, 2D and 3D nanostructures, high specific surface area, tailored pore size, and tunable acidity. Finally, the catalyst performance in the conversion of methanol to aromatic hydrocarbons was tested in a fixed bed reactor. The synthesized H-ZSM5 catalysts exhibited superior methanol conversion (over 100 h up to 90%) and selectivity (over 85%) in the methanol conversion to aromatic hydrocarbon products.
Relationship of common variants in MPP7, TIMP2 and CASP8 genes with the risk of chronic achilles tendinopathy
Authors: Kang Xin , Tian Bin , Zhang Liang , Ge Zhaogang , Zhao Yang , Zhang Yingang 
Published: November 2019

AbstractPrevious etiologic studies have indicated that both environmental and genetic factors play important roles in the occurrence and development of chronic Achilles tendinopathy (AT). A recent study documented the results of the largest genome-wide association study for chronic AT to date, indicating that MPP7, TIMP2 and CASP8 may be involved in the occurrence and development of chronic AT. In this study, we aimed to investigate whether MPP7, TIMP2 and CASP8 were associated with susceptibility to chronic AP in a Han Chinese population. A total of 3,680 study subjects comprised 1,288 chronic AT cases, and 2,392 healthy controls were recruited. Forty-four tag SNPs (7 from CASP8, 20 from MPP7, and 17 from TIMP2) were genotyped in the study. Genetic association analyses were performed at both single marker and haplotype levels. Functional consequences of significant SNPs were examined in the RegulomeDB and GTEx databases. Two SNPs, SNP rs1937810 (OR [95%CI] = 1.20 [1.09–1.32], χ2 = 13.50, P = 0.0002) in MPP7 and rs4789932 (OR [95%CI] = 1.24 [1.12–1.37], χ2 = 17.98, P = 2.23 × 10−5) in TIMP2, were significantly associated with chronic AT. Significant eQTL signals for SNP rs4789932 on TIMP2 were identified in human heart and artery tissues. Our results provide further supportive evidence for the association of the TIMP2 and MPP7 genes with chronic AT, which supports important roles for TIMP2 and MPP7 in the etiology of chronic AT, adding to the current understanding of the susceptibility of chronic AT.
A practical solution of the Bethe equation in the energy range applicable to radiotherapy and radionuclide production
Authors: Martinez D. M. , Rahmani M. , Burbadge C. , Hoehr C. 
Published: November 2019

AbstractWhile the dose deposition of charged hadrons has received much attention over the last decades starting in 1930 with the publication of the Bethe equation, there are still practical obstacles in implementing it in fields like radiotherapy and isotope production on cyclotrons. This is especially true if the target material consists of non-homogeneous materials, either consisting of a mixture of different elements or experiencing phase changes during irradiation. While Monte-Carlo methods have had great success in describing these more difficult target materials, they come at a computational cost, especially if the problem is time-dependent. This can greatly hinder optimal advancement in therapy and isotope targetry. Here, a regular perturbation method is used to solve the Bethe equation in the limit of small relativistic effects. Particular focus is given to incident energy level relevant to radionuclide production and radiotherapy applications, i.e. 10–200 MeV. We present a series solution for the range and dose distribution in terms of elementary functions, as opposed to special functions which will aid in uptake by practitioners.
Optimization and characterization of Royal Dawn cherry (Prunus avium) phenolics extraction
Authors: Iglesias-Carres Lisard , Mas-Capdevila Anna , Bravo Francisca Isabel , Mulero Miquel , Muguerza Begoña , Arola-Arnal Anna 
Published: November 2019

AbstractTo correlate the beneficial effects of cherry consumption with their phenolic composition, a full and precise characterization is required. However, there is not a specific method to fully extract all phenolic compounds from sweet cherries. Thus, this study aimed to optimize the extraction of sweet cherry phenolics by response surface methodology and fully characterize the phenolic profile of Royal Dawn sweet cherries by HPLC-ESI-MS/MS. Extraction conditions were evaluated and optimized to 55 °C, MeOH 72%, 12 mL/g in two extraction steps. Royal Dawn sweet cherries presented rutin as the predominant phenolic compound, unlike most sweet cherry varieties. Additionally, ethanol was evaluated as a replacement solvent, obtaining lower extraction rates, especially for anthocyanins. However, in terms of total amounts, non-anthocyanin compounds were similarly extracted. The developed methodology was fast and can be routinely used in the evaluation of the phenolic profile of sweet cherries and to produce phenolic-rich extracts for the food industry.
Detection and Attribution of Atmospheric Precipitable Water Changes since the 1970s over China
Authors: Zhang Jingpeng , Zhao Tianbao , Dai Aiguo , Zhang Wenyu 
Published: November 2019

AbstractAtmospheric water vapor increases as air temperature rises, which causes further warming. Thus, understanding the underlying causes of atmospheric water vapor change is vital in climate change research. Here, we conducted detection and attribution analyses of atmospheric precipitable water (PW) changes from 1973–2012 over China using an optimal fingerprinting method by comparing the homogenized radiosonde humidity data with CMIP5 model simulations. Results show that the increase in water vapor can be largely attributed to human activities. The effect of anthropogenic forcing (ANT) can be robustly detected and separated from the response to the natural external forcing (NAT) in the two-signal analysis. The moistening attributable to the ANT forcing explains most of the observed PW increase, while the NAT forcing leads to small moistening. GHGs are the primary moistening contributor responsible for the anthropogenic climate change, and the effect of GHGs can be also clearly detected and successfully attributed to the observed PW increases in a three-signal analysis. The scaling factor is used to adjust the CMIP5 model-projected PW changes over China and the observation-constrained future projections suggest that atmospheric water vapor may increase faster (slower) than that revealed by the raw simulations over whole (eastern) China.
Hypoglykämien bei Diabetes mellitus: häufig und gefährlich
Authors: Holstein Andreas , Holstein David J.F. 
Published: November 2019

ZUSAMMENFASSUNGSchwere Hypoglykämien führen häufig zu Verletzungen und sind mit einer mehr als 2-fach erhöhten kardiovaskulären Mortalität und Morbidität assoziiert. Hauptrisikofaktoren für Hypoglykämien bei Typ-1-Diabetes sind Störungen der Hypoglykämie-Wahrnehmung bzw. rekurrente Hypoglykämien, während bei Typ-2-Diabetes komplexe geriatrische Multimorbidität und kognitive Einschränkungen dominieren. Individuelle (Re-)Schulungen der Patienten bilden die Grundlage der Prävention. Therapieziele sollten unter Wertung des Patientenwunsches, der Komorbiditäten, des Hypoglykämierisikos, der Lebenserwartung u.a. individuell festgelegt werden. Bei Typ-2-Diabetes und Hypoglykämie-Vulnerabilität sind Antidiabetika ohne intrinsisches Hypoglykämierisiko (DPP-4-Hemmer, GLP-1-Analoga, SGLT-2-Hemmer) in der Zweitlinien-Therapie nach Metformin zu bevorzugen. Moderne CGM-Technologien tragen dazu bei, insbesondere gefährliche nächtliche Hypoglykämien zu reduzieren und die Hypoglykämie-Wahrnehmung zu verbessern. Auch CSII und wahrscheinlich der Einsatz moderner Basalinsulinanaloga senken das Hypoglykämierisiko bei Typ-1- bzw. Typ-2-Diabetes. Die simultane Transplantation von Pankreas und Niere, die isolierte Pankreastransplantation und Inseltransplantation führen nicht nur zur (temporären) Insulinunabhängigkeit, sondern vermeiden auch Hypoglykämien. Die primäre Therapie bei bewusstseinsgestörten Patienten mit schwerer Hypoglykämie besteht in der streng intravenösen Gabe von 50 ml 40 %iger Glukose als Bolus. Alternativ kann die Gabe von 1 mg Glukagon intramuskulär erfolgen. Ältere komorbide oder verletzte Diabetespatienten, Sulfonylharnstoff-Hypoglykämien und Hypoglykämien unter Alkoholkonsum oder Analgetika-/Sedativa-Medikation bedürfen obligat der stationären Überwachung.
Time-Lag Between Symptom Onset and Diagnosis of Subacute Thyroiditis – How to Avoid the Delay of Diagnosis and Unnecessary Overuse of Antibiotics
Authors: Stasiak Magdalena , Michalak Renata , Stasiak Bartłomiej , Lewiński Andrzej 
Published: November 2019

AbstractClinical symptoms of subacute thyroiditis (SAT) may be misleading and the proper diagnosis is significantly delayed, and many unnecessary therapeutic methods are used, including application of antibiotics. The purpose of the study is to analyze the reasons and frequency of delayed SAT diagnosis and unnecessary antibiotic treatment and to propose a simple algorithm to facilitate the diagnosis and prevent antibiotic abuse. Sixty-four SAT patients were divided into groups depending on the period of time from the first symptoms of SAT to diagnosis and on the unnecessary use of antibiotics. Data from medical history and laboratory test results were analyzed for individual groups to determine the reasons for delayed diagnosis and incorrect treatment. In 73% of patients, the diagnosis was delayed from over two weeks up to six months. Among 62 patients who provided data on antibiotic use, 29 (46.77%) were treated with one or more antibiotics due to SAT symptoms. Fever, preceding infection, increased C-reactive protein (CRP), and WBC were characteristic for the antibiotic treated group. Fever, preceding infection, increased CRP and WBC are typical for both SAT and infection and are the main symptoms leading to misdiagnosis and unnecessary antibiotic treatment in SAT. Thus, in all patients with neck pain or other SAT-like symptoms, thorough clinical examination of the neck is mandatory. When firm and/or tender thyroid nodule/goitre is present and erythrocyte sedimentation rate /CRP is increased, patient should be promptly referred to an endocrinologist, and antibiotics are not recommended.
Spätkomplikationen nach Tracheotomie im ambulanten Pflegebereich
Authors: Schrom Thomas , Grode-Trübenbach Julia , Diederich Linda , Bloching Marc 
Published: November 2019

Zusammenfassung
Hintergrund Fortschritte der modernen Intensivmedizin haben zu einem drastischen Anstieg der Tracheotomie-Zahlen auf Intensivstationen geführt. Im Gegensatz zur chirurgischen epithelisierten Tracheostomie (ST) entsteht mittels perkutaner Dilatation angelegter Tracheotomie (PDT) ein nur wenig stabiles Stoma. Die Vorteile einer PDT im Vergleich zur ST liegen in dem geringeren organisatorischen Aufwand, der damit verbundenen Kostenreduktion und der geringeren Invasivität des Verfahrens. Aufgrund des unterschiedlichen Atemwegsmanagements nach PDT können Spätkomplikationen vor allem in Pflegeeinrichtungen Probleme machen.
Material und Methoden Es wurden Pflegeeinrichtungen zum Tracheotomie-Typ und Kanülenmanagement ihrer tracheotomierten Patienten anhand eines standardisierten Fragebogens befragt. Der Fragebogen beinhaltete Angaben zum Patienten und zur Tracheotomie-Art, Angaben zum Kanülenmanagement und Angaben von Komplikationen am Tracheostoma in Art und Häufigkeit.
Ergebnisse Nahezu 2/3 der Patienten waren mit einer PDT versorgt. Die Komplikationsraten der PDT-versorgten Patienten in Bezug auf alle beobachteten Komplikationsarten waren statistisch hochsignifikant höher als in der Gruppe der ST-versorgten Patienten. Bei 80 % der mit einer PDT versorgten Patienten war im weiteren Verlauf die Einweisung in eine Klinik zur Tracheostomarevision notwendig versus 23 % bei den ST-versorgten Patienten.
Diskussion Eine PDT stellt in der postoperativen Nachsorge besondere Anforderungen an das Pflegepersonal. Die Entscheidung, welche Form der Tracheotomie für den zu behandelnden Patienten angelegt wird, sollte in Abhängigkeit von der Indikation im interdisziplinären Team erfolgen. Bei voraussichtlicher Längerfristigkeit der Tracheotomie sollte bereits initial eine chirurgische Tracheostomie angelegt werden.
Total Endovascular Aortic Arch Repair with Branched Graft
Authors: Franzese Ilaria , Petrilli Giuseppe , Puppini Giovanni , Bacich Daniela , Giambruno Vincenzo , Faggian Giuseppe 
Published: November 2019

AbstractIn selected cases, the utilization of branched endografts for the treatment of aortic arch aneurysms could be a safe and advantageous alternative to high-risk procedures such as open total aortic arch replacement or hybrid arch repair. We present the case of a 70-year-old man with saccular aneurysm of a bovine aortic arch which was endovascularly treated using a double-branched custom-made aortic endoprosthesis based on the Relay NBS (Non-Bare Stent) Plus platform intended for zone 0 deployment. The postoperative clinical course was uneventful. The postoperative computed tomography scan showed a good result of the implant. The patient was discharged 6 days after the procedure.
Transpulmonary Closure of Giant Persistent Ductus Arteriosus under Cardiopulmonary Bypass and Normothermic Cardioplegia
Authors: Chowdhury Ujjwal K. , Singh Sukhjeet , George Niwin , Sankhyan Lakshmi Kumari , Kapoor Poonam Malhotra 
Published: November 2019

AbstractA 25-year-old female patient with a giant, short, calcified, hypertensive, window ductus arteriosus underwent successful closure via transpulmonary approach under normothermic
cardiopulmonary bypass without circulatory arrest using a Foley catheter for temporary occlusion.
Metatranscriptomic reconstruction reveals RNA viruses with the potential to shape carbon cycling in soil
Authors: Starr Evan P. , Nuccio Erin E. , Pett-Ridge Jennifer , Banfield Jillian F. , Firestone Mary K. 
Published: November 2019

SignificanceThe diversity and ecology of RNA viruses is severely understudied in complex environments. Here we investigate the diversity and community patterns of soil RNA viruses by analyzing assembled metatranscriptomes. We tracked RNA viral and host communities for 22 d in 2 soil environments central to carbon cycling, the rhizosphere and detritosphere. This work is an important step toward understanding the factors that drive RNA viral communities. The main hosts in our system may be Fungi and Proteobacteria; this is in contrast to the ocean, where diatoms and other single cellular eukaryotes are primary hosts for RNA viruses. These results greatly expand the known diversity of viruses and contribute to understanding microbial interactions in soil with major implications for carbon cycling.
Mechanical stress compromises multicomponent efflux complexes in bacteria
Authors: Genova Lauren A. , Roberts Melanie F. , Wong Yu-Chern , Harper Christine E. , Santiago Ace George , Fu Bing , Srivastava Abhishek , Jung Won , Wang Lucy M. , Krzemiński Łukasz , Mao Xianwen , Sun Xuanhao , Hui Chung-Yuen , Chen Peng , Hernandez Christopher J. 
Published: November 2019

Significance
The field of mechanobiology examines how physical forces modulate cell physiology and has traditionally focused on eukaryotic organisms. Here we show that in bacteria, mechanical stresses can interrupt the structure and function of a molecular assembly used by Gram-negative bacteria to survive and grow in the presence of toxins. This work provides evidence that bacteria, like mammalian cells, can respond to mechanical forces through molecular complexes at the cell surface in ways that are relevant to growth. Our observations further suggest that mechanical forces may be used synergistically with other antimicrobials.
Optical waveguiding by atomic entanglement in multilevel atom arrays
Authors: Asenjo-Garcia Ana , Kimble H. J. , Chang Darrick E. 
Published: November 2019

Significance
Atomic ensembles constitute a dominant platform for realizing quantum interfaces between light and matter. In dense and ordered arrays, destructive interference in photon emission leads to the emergence of subradiant states, which are protected from radiative decay and have long lifetimes. This phenomenon has attracted a lot of interest recently, with work showing that collective emission can be used to realize improved quantum memories and atomic mirrors. These ideas strongly rely on one assumption: that atoms have a unique ground state. Our work discusses the survival of subradiance for atoms with complex internal structure. In particular, we unveil a different mechanism for subradiance, which crucially depends on entanglement, a radical departure from the physics of classical-dipole lattices or 2-level atom arrays.