bluuebunny/crossref_metadata_2025_split huggingface dataset:
Bioorthogonal Chemistry Enables Single‐Molecule FRET Measurements of Catalytically Active Protein Disulfide Isomerase
Authors: Chinnaraj Mathivanan , Barrios David A. , Frieden Carl , Heyduk Tomasz , Flaumenhaft Robert , Pozzi Nicola 
Published: August 2020

AbstractFolding of newly synthesized proteins in the endoplasmic reticulum is assisted by several families of enzymes. One such family is the protein disulfide isomerases (PDIs). PDIs are oxidoreductases, capable of forming new disulfide bonds or breaking existing ones. Structural information on PDIs unbound and bound to substrates is highly desirable for developing targeted therapeutics, yet it has been difficult to obtain by using traditional approaches because of their relatively large size and remarkable flexibility. Single‐molecule FRET (smFRET) could be a powerful tool to study PDIs’ structure and dynamics under conditions relevant to physiology, but its implementation has been hindered by technical challenges of position‐specific fluorophore labeling. We have overcome this limitation by site‐specifically engineering fluorescent dyes into human PDI, the founding member of the family. Proof‐of‐concept smFRET measurements of catalytically active PDI demonstrate, for the first time, the feasibility of this approach, expanding the toolkit for structural studies of PDIs.
Discovery of Six Ramoplanin Family Gene Clusters and the Lipoglycodepsipeptide Chersinamycin**
Authors: Morgan Kelsey T. , Zheng Jeffrey , McCafferty Dewey G. 
Published: August 2020

AbstractRamoplanins and enduracidins are peptidoglycan lipid intermediate II‐binding lipodepsipeptides with broad‐spectrum activity against methicillin‐ and vancomycin‐resistant Gram‐positive pathogens. Targeted genome mining using probes from conserved sequences within the ramoplanin/enduracidin biosynthetic gene clusters (BGCs) was used to identify six microorganisms with BGCs predicted to produce unique lipodepsipeptide congeners of ramoplanin and enduracidin. Fermentation of Micromonospora chersina yielded a novel lipoglycodepsipeptide, called chersinamycin, which exhibited good antibiotic activity against Gram‐positive bacteria (1–2 μg/mL) similar to the ramoplanins and enduracidins. The covalent structure of chersinamycin was determined by NMR spectroscopy and tandem mass spectrometry in conjunction with chemical degradation studies. These six new BGCs and isolation of a new antimicrobial peptide provide much‐needed tools to investigate the fundamental aspects of lipodepsipeptide biosynthesis and to facilitate efforts to produce novel antibiotics capable of combating antibiotic‐resistant infections.
Telocytes are associated with tissue remodeling and angiogenesis during the postlactational involution of the mammary gland in gerbils
Authors: Sanches Bruno D. A. , Leonel Ellen C. R. , Maldarine Juliana S. , Tamarindo Guilherme H. , Barquilha Caroline N. , Felisbino Sérgio L. , Goés Rejane M. , Vilamaior Patricia S. L. , Taboga Sebastião R. 
Published: August 2020

AbstractThe postlactational involution of the mammary gland is a complex process. It involves the collapse of the alveoli and the remodeling of the extracellular matrix, which in turn implies a complex set of interrelations between the epithelial, stromal, and extracellular matrix elements. The telocytes, a new type of CD34‐positive stromal cell that differs from fibroblasts in morphological terms and gene expression, were detected in the stroma of several tissues, including the mammary gland; however, their function remains elusive. The present study employed three‐dimensional reconstructions and immunohistochemical, ultrastructural, and immunofluorescence techniques in histological sections of the mammary gland of the Mongolian gerbil during lactation and postlactational involution to evaluate the presence of telocytes and to investigate a possible function for these cells. By means of immunofluorescence assays for CD34 and c‐kit, major markers of telocytes, and also through morphological and ultrastructural evidences, telocytes were observed to surround the mammary ducts and collapsing alveoli. It was also found that these cells are associated with matrix metalloproteinase 9, which indicates that telocytes can play a role in extracellular matrix digestion, as well as vascular endothelial growth factor, a factor that promotes angiogenesis. Together, these data indicate that telocytes are a distinct cell type in the mammary gland and, for the first time, show that these cells possibly play a role in tissue remodeling and angiogenesis during the postlactional involution of the mammary gland.
Development of a method for determining oil absorption capacity in pulse flours and protein materials
Authors: Wang Ning , Maximiuk Lisa , Fenn Dora , Nickerson Michael T. , Hou Anfu 
Published: August 2020

AbstractBackground and objectivesThe conventional method for determining oil absorption capacity (OAC) in pulse ingredients involves mixing a sample with excess oil, centrifuging the dispersion, and then calculating the amount of oil absorbed. However, there are issues associated with the conventional method such as loss of the less dense materials through oil decanting process and reabsorption of oil by samples after centrifugation. Therefore, the objective of this work was to develop a method that could eliminate those concerns for determining OAC.FindingsA method for measuring OAC of flours or protein concentrates/isolates derived from pulses and soybeans was developed. The new method involved mixing 0.5 g sample with 1.5 ml canola oil intermittently for 20 min, centrifuging the inverted sample tubes at 600 ×g for 25 min, and measuring the amount of oil absorbed per gram of dry sample. Comparing to the conventional method, the new method used a lower sample to oil ratio (1:3 g/ml), and each test tubes were centrifuged upside down in an apparatus at a lower centrifugal force (600 ×g). A syringe barrel was used in the apparatus to hold a filter paper in place to prevent sample materials from draining out with the excess oil during centrifugation. Test efficiency increased due to combining steps of centrifugation and oil draining in the new method. Differences in OAC values determined by the new method were exhibited from various pulse and soybean materials.ConclusionsAmounts of oil absorbed by flours and protein concentrates/isolates from pulses and soybeans could be measured by the new method without accounting for the extra free oil trapped in the samples. The new procedure showed good within‐laboratory reproducibility. More samples could be tested with the new method due to its simplified procedure. Flours and protein concentrates/isolates from pulses and soybeans with different OAC values could be separated from each other using the new method.Significance and noveltyThe method developed was simple and reliable and could be applied to a variety of pulse and soybean ingredients.
Reduction of Greenhouse Gas Emissions from Gas, Oil, and Coal Power Plants in Pakistan by Carbon Capture and Storage (CCS): A Review
Authors: Rashid Muhammad Imran , Benhelal Emad , Rafiq Sikander 
Published: August 2020

AbstractThe production of energy in Pakistan as a developing country mainly depends on consumption of fossil fuels, which are the main sources of greenhouse gas (GHG) emissions. These emissions can be mitigated by implementing carbon capture and storage (CCS) in running plants. An overview of the current and future potentials of Pakistan for CCS is provided, indicating a great potential for this technology to capture CO2 emissions. The amine CO2 capture process as the most mature procedure is currently applied in many oil and gas companies in Pakistan, which can be employed to capture CO2 from other industries as well. Pakistan has a great CO2 storage potential in oil, gas, and coal fields and in saline aquifer as well as significant resources of Mg and Ca silicates suitable as feedstock in the carbon mineralization process. For further development and implementation of CCS technologies in Pakistan, economic and policy barriers as the main obstacles should be alleviated.
Hydrodynamic Performance of a Ring‐Style High‐Shear Impeller in Newtonian and Shear‐Thinning Fluids
Authors: Guadarrama-Pérez Román , Márquez-Baños Valaur E. , De La Concha-Gómez Aarón D. , Valencia-López José J. , Vengoechea-Pimienta Alejandra , Martínez de Jesús Gastón , Ramírez-Muñoz Jorge 
Published: August 2020

AbstractLaminar mixing of Newtonian and shear‐thinning fluids induced by a Hockmeyer®‐type impeller was investigated. Two unbaffled tanks at three impellers off‐bottom clearances (c) were studied. Six geometric combinations, i.e., two d/T and three c/T, were examined where d and T are the impeller and tank diameters, respectively. Determination of the Metzner‐Otto constant (Ks) was undertaken. The effects of d/T, c/T, and fluid rheology on Ks, power demand, pumping, shear and viscous dissipation were analyzed. The evaluated geometric ratios and rheology do not significantly affect Ks and power demand, only the rheology had an impact on the remaining hydrodynamic parameters. Pumping was favored with the Newtonian fluid, and shear and viscous dissipation increased with the shear‐thinning fluid.
Extraction of Oil from Rosehip Seed: Kinetics, Thermodynamics, and Optimization
Authors: Milić Slavica M. , Kostić Milan D. , Milić Petar S. , Vučić Vesna M. , Arsić Aleksandra Č. , Veljković Vlada B. , Stamenković Olivera S. 
Published: August 2020

AbstractRosehip (Rosa canina L.) oil (RSO) was recovered from waste rosehip seeds by cold pressing as well as maceration and Soxhlet extraction using n‐hexane. The influence of the extraction temperature, the solvent‐to‐seed ratio (SSR), and the extraction time on RSO yield was examined for the maceration process. The extraction technique did not influence the fatty acid profile of the RSO. All process factors had a significant effect on the oil yield. The kinetics was described using the model involving instantaneous washing followed by diffusion. The RSO maceration was spontaneous, endothermic, and irreversible.
Partial least squares discrimination applied to a few samples dataset: A case for predicting the presence of pesticide in lettuce
Authors: de Souza Silvio José , Valderrama Patrícia , Consolin Filho Nelson , Pilau Eduardo Jorge , Coelho Tanamati Ailey Aparecida , Wentzell Peter D. , Março Paulo Henrique 
Published: August 2020

AbstractTo perform discriminant analysis through partial least squares (PLS‐DA), it is important to note that the smaller the set of samples and the higher the variable to sample ratio, the higher the chance of a too optimistic classification model. In this sense, it is necessary to use strategies to check for the possibility that the classification achieved is done by chance. In metabolomics studies, it is not uncommon to work with a reduced number of samples, in which discrimination approaches must be evaluated according to its reliability. Considering this issue, this study aimed to show a case study to deal with few samples using PLS‐DA to discriminate lettuce cultivated in the absence and presence of imidacloprid (IMI). The data were acquired by using ultra‐high‐performance liquid chromatography coupled to a quadrupole‐time of flight mass spectrometry, and the model prediction ability was evaluated by permuting the classes. The performance of the PLS‐DA model built using all the variables reached 100% correct classification. Nonetheless, the reliability tests (Wilcoxon, sign test, and Rand t test) indicated that the model has been build choosing variables by chance. By using the variable importance in projection, it was possible to build a model with reliable specificity and sensitivity equals 1. The study showed the need to check the classification ability in PLS‐DA models through strategies such as variable selection and the permutation test in order to allow for the evaluation of the reliability of the results, even in cases in which the classification reaches 100% in the target.
A Serendipitous One‐Pot Cyanation/Hydrolysis/Enamide Formation: Direct Access to 3‐Methyleneisoindolin‐1‐ones
Authors: Banik Trisha , Kaliappan Krishna P. 
Published: August 2020

AbstractA direct, one‐pot conversion of 2’‐haloacetophenones to 3‐methyleneisoindolin‐1‐one scaffolds using CuCN as the sole reagent without the need for moisture‐free or anaerobic conditions is reported. This serendipitously discovered transformation with a broad substrate scope provides a significantly different route towards these important scaffolds. The scope of the method has also been further extended towards the synthesis of three special scaffolds, which are analogous to various bio‐active drugs.
Emerging Organometallic Methods for the Synthesis of C‐Branched (Hetero)aryl, Alkenyl, and Alkyl Glycosides: C−H Functionalization and Dual Photoredox Approaches
Authors: Ghouilem Juba , de Robichon Morgane , Le Bideau Franck , Ferry Angélique , Messaoudi Samir 
Published: August 2020

AbstractTransition‐metal‐catalyzed C−H functionalization and photoredox nickel dual catalysis have emerged as innovative and powerful avenues for the synthesis of C‐branched glycosides. These two concepts have been recently established and provide efficient and mild methods for accessing a series of valuable complex C‐branched glycosides of great interest. Herein, recent developments in the synthesis of C‐branched aryl/alkenyl/alkyl glycosides through these two approaches are highlighted.
π‐Extended Diaza[7]helicenes by Hybridization of Naphthalene Diimides and Hexa‐peri‐hexabenzocoronenes
Authors: Dusold Carolin , Sharapa Dmitry I. , Hampel Frank , Hirsch Andreas 
Published: August 2020

AbstractThe synthesis of an unprecedented, π‐extended hexabenzocorene (HBC)‐based diaza[7]helicene is presented. The target compound was synthesized by anortho‐fusion of two naphthalene diimide (NDI) units to a HBC‐skeleton. A combination of Diels–Alder and Scholl‐type oxidation reactions involving a symmetric di‐NDI‐tolane precursor were crucial for the very selective formation of the helical superstructure via a hexaphenyl‐benzene (HPB) derivative. The formation of the diaza[7]helicene moiety in the final Scholl oxidation is favoured, affording the symmetric π‐extended helicene as the major product as a pair of enantiomers. The separation of the enantiomers was successfully accomplished by HPLC involving a chiral stationary phase. The absolute configuration of the enantiomers was assigned by comparison of circular dichroism spectra with quantum mechanical calculations.
A Water‐Gated Organic Thin‐Film Transistor for Glyphosate Detection: A Comparative Study with Fluorescence Sensing
Authors: Sasaki Yui , Asano Koichiro , Minamiki Tsukuru , Zhang Zhoujie , Takizawa Shin‐ya , Kubota Riku , Minami Tsuyoshi 
Published: August 2020

AbstractThis work reports the design of a highly sensitive solid‐state sensor device based on a water‐gated organic thin‐film transistor (WG‐OTFT) for the selective detection of herbicide glyphosate (GlyP) in water. A competitive assay among carboxylate‐functionalized polythiophene, Cu2+, and GlyP was employed as a sensing mechanism. Molecular recognition phenomena and electrical double layer (EDL) (at the polymer/water interface) originated from the field‐effect worked cooperatively to amplify the sensitivity for GlyP. The limit of detection of WG‐OTFT (0.26 ppm) was lower than that of a fluorescence sensor chip (0.95 ppm) which is the conventional sensing method. In contrast to the previously reported insulated molecular wires to block interchain interactions, molecular aggregates under the field‐effect has shown to be effective for amplification of sensitivity through “intra”‐ and “inter”‐molecular wire effects. The opposite strategy in this study could pave the way for fully utilizing the sensing properties of polymer‐based solid‐state sensor devices.
A Reversible Hydrogen‐Bond Isomerization Triggered by an Abrupt Spin Crossover near Room Temperature
Authors: Jornet‐Mollá Verónica , Giménez‐Saiz Carlos , Yufit Dmitry S. , Howard Judith A. K. , Romero Francisco M. 
Published: August 2020

AbstractThe spin crossover salt [Fe(bpp)2](isonicNO)2⋅ 2.4 H2O (1⋅2.4 H2O) (bpp=2,6‐bis(pyrazol‐3‐yl)pyridine; isonicNO=isonicotinate N‐oxide anion) exhibits a very abrupt spin crossover at T1/2=274.4 K. This triggers a supramolecular linkage (H‐bond) isomerization that responds reversibly towards light irradiation or temperature change. Isotopic effects in the thermomagnetic behavior reveal the importance of hydrogen bonds in defining the magnetic state. Further, the title compound can be reversibly dehydrated to afford 1, a material that also exhibits spin crossover coupled to H‐bond isomerization, leading to strong kinetic effects in the thermomagnetic properties.
Rapid Access to Azabicyclo[3.3.1]nonanes by a Tandem Diverted Tsuji–Trost Process
Authors: Steeds Hannah G. , Knowles Jonathan P. , Yu Wai L. , Richardson Jeffery , Cooper Katie G. , Booker‐Milburn Kevin I. 
Published: August 2020

AbstractA three‐step synthesis of the 2‐azabicyclo[3.3.1]nonane ring system from simple pyrroles, employing a combined photochemical/palladium‐catalysed approach is reported. Substrate scope is broad, allowing the incorporation of a wide range of functionality relevant to medicinal chemistry. Mechanistic studies demonstrate that the process occurs by acid‐assisted C−N bond cleavage followed by β‐hydride elimination to form a reactive diene, demonstrating that efficient control of what might be considered off‐cycle reactions can result in productive tandem catalytic processes. This represents a short and versatile route to the biologically important morphan scaffold.
Modular Synthesis of trans‐A2B2‐Porphyrins with Terminal Esters: Systematically Extending the Scope of Linear Linkers for Porphyrin‐Based MOFs
Authors: Marschner Stefan M. , Haldar Ritesh , Fuhr Olaf , Wöll Christof , Bräse Stefan 
Published: August 2020

AbstractDifferently functionalized porphyrin linkers represent the key compounds for the syntheses of new porphyrin‐based metal–organic frameworks (MOFs), which have gathered great interest within the last two decades. Herein we report the synthesis of a large range of 5,15‐bis(4‐ethoxycarbonylphenyl)porphyrin derivatives, through Suzuki and Sonogashira cross‐coupling reactions of an easily accessible corresponding meso‐dibrominated trans‐A2B2‐porphyrin with commercially available boronic acids or terminal alkynes. The resulting porphyrins were fully characterized through NMR, MS, and IR spectroscopy and systematically investigated through UV/Vis absorption. Finally, selected structures were saponified to the corresponding carboxylic acids and subsequently proven to be suitable for the synthesis of surface‐anchored MOF thin films.
Wirkzusammenhänge begreifen
Authors: Baum Heiko 
Published: August 2020

AbstractKavitationserscheinungen verursachen erhöhte Geräuschpegel und können zu starkem, lebensdauerbegrenzendem Verschleiß von Bauteilen führen. Da es nicht „die“ Kavitation gibt, muss zwischen verschiedenen Kavitationsformen unterschieden werden. Der vorliegen
Schraube oder Turbo? ‐ Eine Entscheidungshilfe
Authors: Jungkunst Marcus , Koehler Daniela 
Published: August 2020

AbstractDrehkolben‐, Schrauben‐ und Turbogebläse ‐ die Vielfalt der Maschinen zur Erzeugung von Druckluft ist groß. Der Investition sollte eine umfassende Bedarfsanalyse vorausgehen.
Pumpentausch senkt Energieverbrauch
Authors: Behrendt Olaf 
Published: August 2020

AbstractKann man seine Anlagen energetisch modernisieren ohne Investitionskosten? Diese Frage stellten sich Stefan Fleth, Leiter Technik im Klinikum Gütersloh und der Werkstattleiter Bernd Fuchs. Die Antwort: ein maßgeschneidertes Konzept, das den Tausch von alte
Versorgungssicherheit zählt
Authors: Sienk Thorsten 
Published: August 2020

AbstractIn der Energiewirtschaft zählt Versorgungssicherheit. Für die eingesetzten Systeme folgt daraus der hohe Anspruch an Verfügbarkeit und Ausfallsicherheit. Können kleinere Kraftwerke, Solarfarmen oder Windparks vergleichsweise einfach heruntergefahren oder
Gesundheitsindex für Kompressoren
Authors: Theis Andreas 
Published: August 2020

AbstractDas Fernüberwachungssystem Smartlink von Atlas Copco vernetzt alle Maschinen innerhalb einer Kompressorstation, überwacht sie nahezu in Echtzeit und wertet die anfallenden Daten systematisch aus. Anwender erhalten einen schnellen überblick über den indivi
Safety, pharmacokinetics, and pharmacodynamics of panobinostat in children, adolescents, and young adults with relapsed acute myeloid leukemia
Authors: Karol Seth E. , Cooper Todd M. , Mead Paul E. , Crews Kristine R. , Panetta John C. , Alexander Thomas B. , Taub Jeffrey W. , Lacayo Norman J. , Heym Kenneth M. , Kuo Dennis J. , Schiff Deborah E. , Bhojwani Deepa , Ge Yubin , Klco Jeffery M. , Ribeiro Raul C. , Inaba Hiroto , Pui Ching‐Hon , Rubnitz Jeffrey E. 
Published: August 2020

BackgroundNovel therapies are urgently needed for pediatric patients with relapsed acute myeloid leukemia (AML).MethodsTo determine whether the histone deacetylase inhibitor panobinostat could be safely given in combination with intensive chemotherapy, a phase 1 trial was performed in which 17 pediatric patients with relapsed or refractory AML received panobinostat (10, 15, or 20 mg/m2) before and in combination with fludarabine and cytarabine.ResultsAll dose levels were tolerated, with no dose‐limiting toxicities observed at any dose level. Pharmacokinetic studies demonstrated that exposure to panobinostat was proportional to the dose given, with no associations between pharmacokinetic parameters and age, weight, or body surface area. Among the 9 patients who had sufficient (>2%) circulating blasts on which histone acetylation studies could be performed, 7 demonstrated at least 1.5‐fold increases in acetylation. Although no patients had a decrease in circulating blasts after single‐agent panobinostat, 8 of the 17 patients (47%), including 5 of the 6 patients treated at dose level 3, achieved complete remission. Among the 8 complete responders, 6 (75%) attained negative minimal residual disease status.ConclusionsPanobinostat can be safely administered with chemotherapy and results in increased blast histone acetylation. This suggests that it should be further studied in AML.
1D 1H NMR as a Tool for Fecal Metabolomics
Authors: Ganobis Caroline M. , Al‐Abdul‐Wahid M. Sameer , Renwick Simone , Yen Sandi , Carriero Charley , Aucoin Marc G. , Allen‐Vercoe Emma 
Published: August 2020

AbstractMetabolomic studies allow a deeper understanding of the processes of a given ecological community than nucleic acid–based surveys alone. In the case of the gut microbiota, a metabolic profile of, for example, a fecal sample provides details about the function and interactions within the distal region of the gastrointestinal tract, and such a profile can be generated in a number of different ways. This unit elaborates on the use of 1D 1H NMR spectroscopy as a commonly used method to characterize small‐molecule metabolites of the fecal metabonome (meta‐metabolome). We describe a set of protocols for the preparation of fecal water extraction, storage, scanning, measurement of pH, and spectral processing and analysis. We also compare the effects of various sample storage conditions for processed and unprocessed samples to provide a framework for comprehensive analysis of small molecules from stool‐derived samples. © 2020 Wiley Periodicals LLCBasic Protocol 1: Extracting fecal water from crude fecal samplesAlternate Protocol 1: Extracting fecal water from small crude fecal samplesBasic Protocol 2: Acquiring NMR spectra of metabolite samplesAlternate Protocol 2: Acquiring NMR spectra of metabolite samples using Bruker spectrometer running TopSpin 3.xAlternate Protocol 3: Acquiring NMR spectra of metabolite samples by semiautomated processBasic Protocol 3: Measuring sample pHSupport Protocol 1: Cleaning NMR tubesBasic Protocol 4: Processing raw spectra dataBasic Protocol 5: Profiling spectraSupport Protocol 2: Spectral profiling of sugars and other complex metabolites