bluuebunny/crossref_metadata_2025_split huggingface dataset:
Development of Streptococcus pneumoniae Pan‐Group Quorum‐Sensing Modulators
Authors: Koirala Bimal , Tal‐Gan Yftah 
Published: July 2019

AbstractThe rapid increase in multidrug‐resistant pathogens is a major health concern that could bring mankind back to the pre‐antibiotic era. Streptococcus pneumoniae is a highly recombinogenic opportunistic pathogen that causes a variety of deadly diseases and rapidly develops resistance to current antibiotic treatments. S. pneumoniae pathogenicity is dependent on a cell‐density communication mechanism, or quorum sensing (QS), termed the competence regulon. In this work, we set out to design signal‐based QS modulators capable of affecting the two specificity groups found in S. pneumoniae. Through systematic analysis and rational design, we were able to construct peptide‐based pan‐group QS activators and inhibitors with activities in the nanomolar range. These novel analogues are privileged scaffolds for the development of anti‐virulence therapeutics against S. pneumoniae infections.
Bridging the Gaps Between Experimental and Mechanistic Catalysis Research: A Case Study with CO Oxidation Over a Pd/Al2O3 Catalyst
Authors: Ren Jiazheng , Cheng Kai , Li Ming , Zhao Songjian , Li Haoran , Chen Yongsheng 
Published: July 2019

AbstractTemperature (T), concentrations of the reactants (C), and the corresponding reaction rate (r) are three important quantities for catalyst evaluation especially for mechanistic studies, however, even today experiments have not strictly met the needs. In this work, CO oxidation reactions are conducted over a Pd/Al2O3 catalyst. It is found that steady‐state tests together with the use of catalyst front temperature are necessary to reveal the average intrinsic catalytic performance. More importantly, for the first time, analytical solutions are obtained for T, C, and r within the catalyst bed from solving the differential equation governing general energy balance in the reaction system. Subsequently, it is found that the conventional differential reactor conditions do not result in accurate measurement of true reaction rate as generally believed. The reaction appears to follow a reaction mechanism below 50 % CO conversion probably involving chemical bond cleavage with an apparent activation energy of 194 kJ/mol while above 79 % conversion a 15 kJ/mol activation energy is observed suggestive of diffusion being the rate determining step.
Homogeneous Catalyst Recycling and Separation of a Multicomponent Mixture Using Organic Solvent Nanofiltration
Authors: Schnoor Johann-Kilian , Fuchs Martin , Böcking Axel , Wessling Matthias , Liauw Marcel A. 
Published: July 2019

AbstractIn homogeneous catalysis, the application of organic solvent nanofiltration (OSN) has become a well‐known alternative to common recycling methods. Even though some OSN membranes are commercially available, their classification and the scope of application have to be determined for the specific solvent mixture. The commercial membrane Evoniks DuraMem® 300 was tested in a mixture of ethanol, ethyl acetate, and cyclohexane with magnesium triflate as possible catalyst. The cross permeate fluxes were measured for two transmembrane pressures and the hydrodynamic radii of the components were determined. Some of the components in the ternary mixture are retained, which makes the membrane also suitable for fractioning thereof.
Hexafluoro‐2‐Propanol‐Promoted Electro‐Oxidative [3+2] Annulation of 1,3‐Dicarbonyl Compounds and Alkenes
Authors: Xiong Mingteng , Liang Xingan , Liang Xiao , Pan Yuanjiang , Lei Aiwen 
Published: July 2019

AbstractAbstract: A straightforward and atom‐economical approach to the synthesis of dihydrofurans employing electro‐oxidative [3+2] annulation of 1,3‐dicarbonyl compound and alkenes has been developed. Neither metal catalysts nor chemical oxidants are required to promote the dehydrogenation process. Moreover, the use of base to decrease the oxidative potential and 1,1,1,3,3,3‐hexafluoro‐2‐propanol to stabilize the reactive intermediates are key to the success of the cyclization.
Structural Rigging of Lignin Precursors for Customized Porous and Graphene‐Like Carbons towards Enhanced Supercapacitive Performance in Aqueous and Non‐Aqueous Electrolytes
Authors: Liu Mingren , Zhang Kejing , Si Mengying , Yu Hongbo , Chai Liyuan , Shi Yan 
Published: July 2019

AbstractMaximum supercapacitive performance in different electrolytes is desirable in the design of advanced carbon materials but still challenged by the conflicting properties of electrolytes. Herein, a practical and scalable strategy to customize carbon materials for aqueous and non‐aqueous electrolytes was proposed via structural rigging of lignin precursors. The resultant graphene‐like hierarchical porous carbon sheets from low‐molecular‐weight lignin exhibit a high electrical conductivity of 17.8 S cm−1, a prominent capacitance of 245 F g−1 at 1 A g−1 and impressive chemical stability in the symmetric supercapacitor of ionic liquid electrolyte. The top‐level energy density of 96.7 Wh kg−1 at a power density of 0.9 kW kg−1 and 48.5 Wh kg−1 at 20.5 kW kg−1 is also obtained. In contrast, the 3D oriented N/O co‐doped porous carbon composed of high‐molecular‐weight lignin possesses high specific surface area (>2400 m2 g−1), regulated micropores and rich heteroatoms for remarkable specific capacitances of 402 F g−1 and 306 F g−1 at 1.0 A g−1 in three‐ and two‐electrode configurations of aqueous electrolyte, respectively. The established formation mechanisms further extend the exploration of highly plastic lignin precursors for diverse energy storage systems.
Electrochemiluminescence for Characterizing the Polymerization Process during Graphitic Carbon Nitride Synthesis
Authors: Wei Jingjing , Zhao Panpan , Chen Lichan , Tian Libing , Wu Haishan , Dong Yongqiang , Chi Yuwu , Zhou Shu‐Feng 
Published: July 2019

AbstractThe physicochemical properties and application performances of graphitic carbon nitride (g‐CN) are highly dependent on its polymerization degree, thus a facile method for screening the polymerization degree is highly desired. Here, electrochemiluminescence (ECL) is creatively employed as an effective tool to achieve this goal. Extension of π‐system and change in pedant groups during g‐CN polymerization process are characterized by g‐CN nanosheets/dissolved oxygen (CNNS/O2) and Ru(bpy)32+/CNNS co‐reactant ECL systems, respectively. Linear intensity enhancement along with positive shift in the onset and peak potentials of cathodic CNNS/O2 ECL, as well as linear intensity decreasing in anodic Ru(bpy)32+/CNNS ECL, are observed during polymerization of dicyandiamide to g‐CN, suggesting the feasibility of ECL on studying the polymerization degree. The ECL method would provide a promising prospect for novel properties exploration and application performances optimization of g‐CN.
Evolutionary Algorithm‐Based Crystal Structure Prediction for Copper(I) Fluoride
Authors: Kuklin Mikhail S. , Maschio Lorenzo , Usvyat Denis , Kraus Florian , Karttunen Antti J. 
Published: July 2019

AbstractDespite numerous experimental studies since 1824, the binary copper(I) fluoride remains unknown. A crystal structure prediction has been carried out for CuF using the USPEX evolutionary algorithm and a dispersion‐corrected hybrid density functional method. In total about 5000 hypothetical structures were investigated. The energetics of the predicted structures were also counter‐checked with local second‐order Møller–Plesset perturbation theory. Herein 39 new hypothetical copper(I) fluoride structures are reported that are lower in energy compared to the previously predicted cinnabar‐type structure. Cuprophilic Cu−Cu interactions are present in all the low‐energy structures, leading to ordered Cu substructures such as helical or zig‐zag‐type Cu−Cu motifs. The lowest‐energy structure adopts a trigonal crystal structure with space group P3121. From an electronic point of view, the predicted CuF modification is a semiconductor with an indirect band gap of 2.3 eV.
Robustness of Water Systems in Industrial Applications
Authors: Slagt J. Marc , Henkel Jochen 
Published: July 2019

AbstractThis paper examines what makes a water treatment system robust and illustrates how to choose a system from the multitude of water treatment technologies that balances the higher costs of a more robust system with the required level of concept functionality. In this report, not all technologies can be covered, but instead the focus is on ultrafiltration, ion exchange, and reverse osmosis technology used in industrial applications and how to maximize the potential of the resulting water system by combining these technologies.
Sole‐ground contact and sitting leg position influence suprahyoid and sternocleidomastoid muscle activity during swallowing of liquids
Authors: Uesugi Yuta , Ihara Yoshiaki , Yuasa Ken , Takahashi Koji 
Published: July 2019

AbstractClinically, the stable sole‐ground contact in the diet is considered as important for achieving safe swallows in the dysphagic patients. However, the effects of varied sole‐ground contacts on swallow‐related muscles activities remain unclear. The aim of this study was to investigate the effects of sole‐ground contacts on the muscle activities during swallow for various materials; 26 healthy adult subjects participated in this study. Three different sole‐ground contact conditions were investigated; sole‐ground contact with knees bent to 90° (KB 90°), sole‐ground contact with knees bent to 135° (KB 135°), and sole‐ground off the floor (Off). Participants swallowed four bolus materials (saliva, 5‐ml water, 10‐ml water, and 5‐ml yogurt) in each sole‐ground contact condition. The muscular activities of the suprahyoid (SH) muscle and the sternocleidomastoid muscle during swallowing were detected and recorded using surface electromyography. The sole‐ground contact pressure was evaluated using the data acquisition system. Duration of SH during 10‐ml water swallow for Off was significantly longer than that for KB 90°. Duration of SH during 5‐ml yogurt swallow for Off was significantly longer than that for KB 90°. Integration of SH during 10‐ml water swallow for Off was significantly greater than that for KB 135°. Integration of SH during 5‐ml yogurt swallow for Off was significantly greater than that for KB 90°. No significant differences were found in peak of SH. Sole‐ground contact conditions had significant effect on swallow‐related muscles activities. The stable sitting positions might be more advantageous for performing effective swallows compared with less stable sitting positions.
A global database of paired leaf nitrogen and phosphorus concentrations of terrestrial plants
Authors: Tian Di , Kattge Jens , Chen Yahan , Han Wenxuan , Luo Yongkai , He Jinsheng , Hu Huifeng , Tang Zhiyao , Ma Suhui , Yan Zhengbing , Lin Quanhong , Schmid Bernhard , Fang Jingyun 
Published: July 2019

AbstractNitrogen (N) and phosphorus (P) are essential components of the basic cell structure of plants. In particular, leaf N and P concentrations and their stoichiometric relationship largely determine the photosynthesis, growth, reproduction, and ecophysiological processes of plants. As important leaf functional traits, leaf N and P concentrations and their stoichiometric relationship play vital roles in indicating plant nutrient‐use strategies and their evolution in terrestrial ecosystems. They also influence physiological and ecological processes in leaves (e.g., growth rate and energy metabolism) and productivity (e.g., net primary production and net ecosystem production) at ecosystem level. However, the lack of a comprehensive data set containing paired leaf N and P concentration records has distinctly limited research on nutrient stoichiometry and leaf functional traits. Here, we provide a global database of paired records of leaf N and P concentrations. A total of 11,354 individual records were acquired spanning 1,291 sites worldwide, including 201 families, 1,265 genera, and 3,227 species. The records span a latitudinal range of 45.28 °S to 68.35 °N and a longitudinal range of 155.5 °W to 168.0 °E. The variables provided for each individual record are (1) geographical location (longitude, latitude, and altitude); (2) matched leaf N and P concentrations and N:P ratio; (3) taxonomic information (family, genera, and species); (4) life form (angiosperm/gymnosperm, monocotyledonous/dicotyledonous and woody plants/herbaceous plants; note that woody plants were further divided into coniferous, deciduous broad‐leaved, and evergreen broad‐leaved woody species and that herbaceous plants were further divided into annual and perennial species); (5) mean annual temperature (MAT) and mean annual precipitation (MAP); and (6) soil N and P concentrations and pH value in some records. To date, this database is the world's largest database of paired leaf N and P concentrations, which contains matched information of geographical location, environmental factors, and taxa. We believe that the database will play a fundamental and crucial part of ecological stoichiometric studies. There are no copyright restrictions. When using this database, we kindly request that you cite this article, respecting all the authors’ hard work during sample collection and data compilation.
Perioperative mortality secondary to a pulmonary embolism during a surgical implantation of the Endo‐Exo‐Prosthesis: a case report
Authors: Örgel Marcus , Aschoff Horst‐Heinrich , Krettek Christian , Graulich Tilman , Omar Mohamed , Harb Afif , Alazzawi Sulaiman 
Published: July 2019

AbstractWe report on a 53‐year‐old female patient who suffered a perioperative death secondary to a pulmonary embolism (PE) during an implantation of Endo‐Exo‐Prosthesis. This is a retrospective review of medical case for a patient who had a previous above‐the‐knee amputation secondary to a failed previous arthroplasty surgery. Our planned surgery was a stage 1 implantation of an Endo‐Exo‐Prosthesis, and it was performed under general anaesthesia. After 25 min from starting the surgical procedure, the patient sustained a cardiac arrest, and despite an active cardiopulmonary resuscitation for 50 min, the patient did not recover, the ventilator machine was stopped later on, and the patient was declared deceased at that stage. Fatal intraoperative PE is a rare but significant complication during orthopaedic procedures. There are few reports of similar events but include mainly trauma patients with fractured neck of femur. Endo‐Exo‐Prosthesis is a relatively newly evolved procedure in a unique group of patients. To our knowledge, this is the first case report of such complication during Endo‐Exo‐Prosthesis implantation. Patient and surgeon should be aware of it, and additional preventive measures like preoperative scoring systems and in special cases using inferior vena cava filter should be considered in patients with high risk of developing venous thromboembolism.
Comparative evaluation of flavor compounds in fermented green and roasted coffee beans by solid phase microextraction‐gas chromatography/mass spectrometry
Authors: Kim Su‐Jin , Lee Sul , Bang Eunjung , Lee Sunho , Rhee Jin‐Kyu , Na Yun‐Cheol 
Published: July 2019

AbstractSpecific fermentation processes such as digestive bioprocessing and monsooning have been of interest to coffee consumers. Volatile compounds of beans during the different fermentation processes vary considerably and exhibit different profiles. The representative flavor compounds for the luwak green bean were found to be pentamethyl heptane and 3‐methyl‐1‐butanol, while more diverse and distinct compounds were observed from the monsooned green bean, namely alkyl butanals, pinenes, benzaldehyde and butanediols. However, after roasting, the fermented form of both beans contained similar types of volatiles and their relative contents compared to those of non‐fermented roasted beans, except for α‐pinene in luwak and 2‐methyl furan in monsooned beans. In principal components analysis and partial least squares‐discriminant analysis (PLS‐DA), the different fermented beans were clearly distinguished by the extracted peak entities from their total ion chromatograms. The s‐plot and variable importance on projection (VIP) values related to PLS‐DA showed the significant compounds contributing to the identification of the groups. 3‐Methyl‐1‐butanol was the most distinctive compound for the luwak green bean, and β‐pinene, ethylbenzene and benzaldehyde were found to be the significant compounds in the monsooned green bean. In roasted beans, the most significant compounds to distinguish luwak were furfural, α‐pinene and 3‐carene with high variable in the projection (VIP) values. A significant presence of pyrazine, alkyl pyrazines, pyridine and alkyl pyridines contributed to differentiating both fermented roasted coffee beans from the unfermented roasted beans.
Method to Measure Area Specific Resistance and Chromium Migration Simultaneously from Solid Oxide Fuel Cell Interconnect Materials
Authors: Tallgren J. , Himanen O. , Bianco M. , Mikkola J. , Thomann O. , Rautanen M. , Kiviaho J. , Van herle J. 
Published: July 2019

AbstractChromium evaporation is identified as a major degradation mechanism in solid oxide fuel cell (SOFC) stacks. The major chromium source is the commonly used stainless steel interconnects, thus raising a need for protective coatings on the interconnect steel. Ex situ characterization methods of protective coatings involve chromium evaporation measurements, area specific resistance (ASR) measurements and long‐term exposure tests. To replicate stack conditions, commonly used ASR measurement setups should be further developed. This work presents an improved characterization method for steels and coatings and aims to be an extension to state‐of‐the‐art characterization methods. The studied steel samples, bare or coated, are placed adjacent to palladium foils with a screen‐printed lanthanum‐strontium‐cobalt (LSC) layer and the resistivity over the pair is measured. The method offers similar contact materials, chromium migration mechanisms, electrical contacts and chemical interactions, as seen in stacks. Further, it enables post‐test chromium migration analysis with electron microscopy. Demonstration of the method validated that protective coatings hindered both oxidation and chromium migration from the substrate steels. The presented method could aid in accelerating protective coating development.
The potential diagnostic power of CD138+ microparticles from the plasma analysis for multiple myeloma clinical monitoring
Authors: Liu Zhao‐Yun , Tian Meng‐Yue , Deng Ling , Wang Ying‐Shuai , Xing Rui , Liu Hui , Fu Rong 
Published: July 2019

AbstractMultiple myeloma (MM) is malignant tumor with abnormal proliferation of bone marrow plasma cells. The existing clinical tools used to determine treatment response and tumor relapse are limited in sensitivity. We investigated the CD138+ microparticles (MPs) of MM patients to find out whether MPs could provide a novel means to monitor the malignant cells in MM patients. Our study showed that the levels of MPs were significantly elevated in MM patients. The MP counts in peripheral blood from new diagnosed MM patients were significantly higher than patients in CR and HD. Consist with the total MPs, the number of the PC‐derived MPs (CD138+) increased in BM from MM patients compared with CR and HD. The ratio of the PC‐derived MPs (CD138+) in BM increased in MM patients compared with CR and HD. The correlation test revealed that the CD138+ MPs in BM and PB were all positively correlated with the plasmacyte ratio in bone marrow (BMPC) and the β2‐MG. New diagnosed MM patients and controls were compared, and ROC curves were used to identify cutoff points with optimal sensitivity and specificity concerning the ratios and counts of CD138+ MPs in BM and PB. The AUC of the CD138+ MP counts in BM was 0.767, and in PB was 0.680. The AUC of the CD138+ MP ratios in BM was 0.714, and in PB was 0.666. According to this, the counts of CD138+ MPs in BM showed to be a powerful marker of diagnosis. We demonstrated that CD138+ MPs from the plasma provide support for a potential monitoring biomarker of MM.
Predictive value of procalcitonin, C‐reactive protein, and white blood cells for chorioamnionitis among women with preterm premature rupture of membranes
Authors: Asadi Nasrin , Faraji Azam , Keshavarzi Ameneh , Akbarzadeh‐Jahromi Mojgan , Yoosefi Sedigeh 
Published: July 2019

AbstractObjectiveTo determine the predictive value of procalcitonin, C‐reactive protein (CRP), and white blood cells (WBC) for chorioamnionitis among women with preterm premature rupture of membranes (PPROM).MethodsA prospective cross‐sectional study of all women with singleton pregnancy and PPROM admitted to a referral hospital in Shiraz, Iran, from 2016 to 2018. All women were hospitalized until delivery. The incidence of chorioamnionitis was recorded. Maternal serum CRP, procalcitonin, and WBC were measured on the day of admission and the day before termination of pregnancy. The diagnostic accuracy of each test was evaluated by receiver operator characteristic (ROC) curve analysis.ResultsOverall, 75 women with PPROM were included in the study. After termination of pregnancy, 34 (45.3%) were diagnosed with clinical chorioamnionitis. Those with chorioamnionitis had significantly higher serum levels of CRP both on admission (P=0.004) and before termination of pregnancy (P<0.001). The area under the curve for last CRP was 0.78 (95% confidence interval, 0.57–0.84), indicating moderate accuracy. Procalcitonin and WBC had low accuracy to predict chorioamnionitis.ConclusionAmong CRP, procalcitonin, and WBC, maternal serum CRP was found to be the most accurate predictor of chorioamnionitis among women with PPROM.
Humanitarian organizations' information practices: Procedures and privacy concerns for serving the undocumented
Authors: Vannini Sara , Gomez Ricardo , Lopez Diane , Mora Sigifredo , Morrison Julia Clare , Tanner Julee , Youkhana Lena , Vergara Genoveva , del Mar Moreno Tafurt Maria 
Published: July 2019

AbstractMany humanitarian organizations in the United States work with the information of undocumented migrants to help them secure services that might otherwise be unattainable to them. Information and communication technologies can help their work, but can also significantly exacerbate the risks that undocumented individuals are facing, and expose them to security breakages, leaks, hacks, inadvertent disclosure, and courts requests. This study aims to provide a preliminary understanding of the information practices and systems that US humanitarian organizations employ to protect the privacy of the undocumented individuals they serve. To do so, we conducted interviews and an analysis of organizations' working documents within humanitarian organizations on the US West Coast, including advocacy groups and organizations with ties to higher education. Our outcomes show gaps between current legal standards, technology best practices, and the day‐to‐day functioning of the organizations. We contend the necessity of support to humanitarian organizations in further developing standards and training for digital privacy.