bluuebunny/crossref_metadata_2025_split huggingface dataset:
Pectin: A Long‐Neglected Broad‐Spectrum Antibacterial
Authors: Ciriminna Rosaria , Fidalgo Alexandra , Meneguzzo Francesco , Presentato Alessandro , Scurria Antonino , Nuzzo Domenico , Alduina Rosa , Ilharco Laura M. , Pagliaro Mario 
Published: August 2020

AbstractFirst reported in the late 1930s and partly explained in 1970, the antibacterial activity of pectin remained almost ignored until the late 1990s. The concomitant emergence of research on natural antibacterials and new usages of pectin polysaccharides, including those in medicine widely researched in Russia, has led to a renaissance of research into the physiological properties of this uniquely versatile polysaccharide ubiquitous in plants and fruits. By collecting scattered information, this study provides an updated overview of the subtle factors affecting the behaviour of pectin as an antimicrobial. Less‐degraded pectin extracted by acid‐free routes, we argue in the conclusions, will soon find applications from new treatments for polymicrobial infections to use as an implantable biomaterial in tissue and bone engineering.
4,4,16‐Trifluoropalmitate: Design, Synthesis, Tritiation, Radiofluorination and Preclinical PET Imaging Studies on Myocardial Fatty Acid Oxidation
Authors: Colombano Alessandro , Dall'Angelo Sergio , Kingston Lee , Grönberg Gunnar , Correia Claudia , Passannante Rossana , Baz Zuriñe , Morcillo Miguel Ángel , Elmore Charles S. , Llop Jordi , Zanda Matteo 
Published: August 2020

AbstractFatty acid oxidation (FAO) produces most of the ATP used to sustain the cardiac contractile work, although glycolysis is a secondary source of ATP under normal physiological conditions. FAO impairment has been reported in the advanced stages of heart failure (HF) and is strongly linked to disease progression and severity. Thus, from a clinical perspective, FAO dysregulation provides prognostic value for HF progression, the assessment of which could be used to improve patient monitoring and the effectiveness of therapy. Positron emission tomography (PET) imaging represents a powerful tool for the assessment and quantification of metabolic pathways in vivo. Several FAO PET tracers have been reported in the literature, but none of them is in routine clinical use yet. Metabolically trapped tracers are particularly interesting because they undergo FAO to generate a radioactive metabolite that is subsequently trapped in the mitochondria, thus providing a quantitative means of measuring FAO in vivo. Herein, we describe the design, synthesis, tritium labelling and radiofluorination of 4,4,16‐trifluoro‐palmitate (1) as a novel potential metabolically trapped FAO tracer. Preliminary PET‐CT studies on [18F]1 in rats showed rapid blood clearance, good metabolic stability – confirmed by using [3H]1 in vitro – and resistance towards defluorination. However, cardiac uptake in rats was modest (0.24±0.04 % ID/g), and kinetic analysis showed reversible uptake, thus indicating that [18F]1 is not irreversibly trapped.
Frequency and clinicopathologic associations of DNA mismatch repair protein deficiency in ampullary carcinoma: Routine testing is indicated
Authors: Xue Yue , Balci Serdar , Aydin Mericoz Cisel , Taskin Orhun C. , Jiang Hongmei , Pehlivanoglu Burcin , Muraki Takashi , Memis Bahar , Saka Burcu , Kim Grace E. , Bandopadhyay Sudeshna , Knight Jessica , El‐Rayes Bassel F. , Sarmiento Juan , Reid Michelle D. , Erkan Mert , Basturk Olca , Adsay Volkan 
Published: August 2020

BackgroundThe significance of DNA mismatch repair (MMR) deficiency in ampullary cancers (ACs) has not been established.MethodsIn total, 127 ACs with invasive carcinomas measuring ≥3 mmthat had adequate tissue were analyzed immunohistochemically.ResultsMMR loss was detected in 18% of ACs (higher than in colorectal cancers). Twelve tumors with MLH1‐PMS2 loss were negative for BRAF V600E mutation, suggesting a Lynch syndrome association. MMR‐deficient tumors (n = 23), comparedwith MMR‐intact tumors (n = 104), showed a striking male predominance (male:female ratio, 4.7). Although the deficient tumors had slightly larger invasion size (2.7 vs 2.1 cm), they also had more expansile growth and less invasiveness, including less perineural invasion, and they ultimately had lower tumor (T) classification and less lymph node metastasis (30% vs 53%; P = .04). More important, patients who had MMR‐deficient tumors had better clinical outcomes, with a 5‐year overall survival rate of 68% versus 45% (P = .03), which was even more pronounced in those who had higher Tclassification (5‐year overall survival, 69% vs 34%; P = .04). MMR deficiencyhad a statistically significant association with medullary phenotype, pushing‐border invasion, and tumor‐infiltrating immune cells, and it occurred more frequently in ampullary‐duodenal type tumors. Programed cell death‐ligand 1 (PD‐L1) levels analyzed in the 22 MMR‐deficient ACs revealed that all medullary carcinomas were positive. Nonmedullary MMR‐deficient carcinomas expressed PD‐L1 in 33% of tumors cells according to the criteria for a combined positive score ≥1, but all were negative according to the tumor proportion score≥1 method.ConclusionsIn ACs, MMR deficiency is even more frequent (18%) than in colon cancer and often has a Lynch‐suggestive profile, thus routine testing is warranted. Male gender, pushing‐border infiltration, ampullary‐duodenal origin, medullary histology, and tumor‐related inflammation have a significantly higher association with MMR deficiency. MMR‐deficient tumors have less aggressive behavior. PD‐L1 expression is common in medullary‐phenotype ACs, thus immunotherapy should be considered at least for this group.
The value of a tiered cytology diagnostic reporting system in assessing the risk of malignancy in indeterminate serous effusions
Authors: Hou Tieying , Landon Gene , Stewart John , Roy‐Chowdhuri Sinchita 
Published: August 2020

BackgroundThe International System for Reporting Serous Fluid Cytopathology was recently proposed as a tiered structure to provide consistent reporting terminology for serous effusions. Because of the variation in reporting practices for indeterminate serous effusions, namely, the atypia of undetermined significance (AUS) and suspicious for malignancy (SFM) groups, the authors retrospectively reviewed cases in these 2 categories at their institution and determined the associated risk of malignancy (ROM).MethodsPleural, peritoneal, and pericardial effusions that were reported as AUS or SFM over a 1‐year period were reviewed, and their associated ROMs were calculated based on confirmation of malignancy by previous and/or subsequent fluid and/or tissue biopsy specimens from the same general location.ResultsIn total, 145 AUS and 98 SFM serous effusion cases were identified. The AUS category was used when the cells in question lacked the requisite quantitative (cell number) and/or qualitative (morphologic) features for a definitive diagnosis. Immunohistochemistry (IHC) or flow cytometry (FCM) was available in 15% of cases (n = 22) with inconclusive results. The ROM based on 69 cases with available follow‐up results was 39%. In contrast, the SFM category demonstrated cells that were morphologically suspicious for malignancy but sparse, precluding IHC or FCM (n = 63; 64%) or yielding inconclusive results (n = 35; 36%). The ROM in the SFM category, based on follow‐up results of 61 cases, was 64%.ConclusionsThe ROM for SFM was significantly higher than that for AUS (P < .01), supporting separate diagnostic categories for these 2 groups.
Whole‐brain efferent and afferent connectivity of mouse ventral tegmental area melanocortin‐3 receptor neurons
Authors: Dunigan Anna I. , Swanson Andrew M. , Olson David P. , Roseberry Aaron G. 
Published: August 2020

AbstractThe mesolimbic dopamine (DA) system is involved in the regulation of multiple behaviors, including feeding, and evidence demonstrates that the melanocortin system can act on the mesolimbic DA system to control feeding and other behaviors. The melanocortin‐3 receptor (MC3R) is an important component of the melanocortin system, but its overall role is poorly understood. Because MC3Rs are highly expressed in the ventral tegmental area (VTA) and are likely to be the key interaction point between the melanocortin and mesolimbic DA systems, we set out to identify both the efferent projection patterns of VTA MC3R neurons and the location of the neurons providing afferent input to them. VTA MC3R neurons were broadly connected to neurons across the brain but were strongly connected to a discrete set of brain regions involved in the regulation of feeding, reward, and aversion. Surprisingly, experiments using monosynaptic rabies virus showed that proopiomelanocortin (POMC) and agouti‐related protein (AgRP) neurons in the arcuate nucleus made few direct synapses onto VTA MC3R neurons or any of the other major neuronal subtypes in the VTA, despite being extensively labeled by general retrograde tracers injected into the VTA. These results greatly contribute to our understanding of the anatomical interactions between the melanocortin and mesolimbic systems and provide a foundation for future studies of VTA MC3R neurons and the circuits containing them in the control of feeding and other behaviors.
Large Amplitude Torsions in Nitrotoluene Isomers Studied by Rotational Spectroscopy and Quantum Chemistry Calculations
Authors: Roucou Anthony , Goubet Manuel , Kleiner Isabelle , Bteich Sabath , Cuisset Arnaud 
Published: August 2020

AbstractRotational spectra of ortho‐nitrotoluene (2‐NT) and para‐nitrotoluene (4‐NT) have been recorded at low and room temperatures using a supersonic jet Fourier Transform microwave (MW) spectrometer and a millimeter‐wave frequency multiplier chain, respectively. Supported by quantum chemistry calculations, the spectral analysis of pure rotation lines in the vibrational ground state has allowed to characterise the rotational energy, the hyperfine structure due to the 14N nucleus and the internal rotation splittings arising from the methyl group. For 2‐NT, an anisotropic internal rotation of coupled −CH3 and −NO2 torsional motions was identified by quantum chemistry calculations and discussed from the results of the MW analysis. The study of the internal rotation splittings in the spectra of three NT isomers allowed to characterise the internal rotation potentials of the methyl group and to compare them with other mono‐substituted toluene derivatives in order to study the isomeric influence on the internal rotation barrier.
Rational Design of Fe2(μ‐PR2)2(L)6 Coordination Compounds Featuring Tailored Potential Inversion
Authors: Arrigoni Federica , Rizza Fabio , Vertemara Jacopo , Breglia Raffaella , Greco Claudio , Bertini Luca , Zampella Giuseppe , De Gioia Luca 
Published: August 2020

AbstractIt was recently discovered that some redox proteins can thermodynamically and spatially split two incoming electrons towards different pathways, resulting in the one‐electron reduction of two different substrates, featuring reduction potential respectively higher and lower than the parent reductant. This energy conversion process, referred to as electron bifurcation, is relevant not only from a biochemical perspective, but also for the ground‐breaking applications that electron‐bifurcating molecular devices could have in the field of energy conversion. Natural electron‐bifurcating systems contain a two‐electron redox centre featuring potential inversion (PI), i. e. with second reduction easier than the first. With the aim of revealing key factors to tailor the span between first and second redox potentials, we performed a systematic density functional study of a 26‐molecule set of models with the general formula Fe2(μ‐PR2)2(L)6. It turned out that specific features such as i) a Fe−Fe antibonding character of the LUMO, ii) presence of electron‐donor groups and iii) low steric congestion in the Fe's coordination sphere, are key ingredients for PI. In particular, the synergic effects of i)‐iii) can lead to a span between first and second redox potentials larger than 700 mV. More generally, the “molecular recipes” herein described are expected to inspire the synthesis of Fe2P2 systems with tailored PI, of primary relevance to the design of electron‐bifurcating molecular devices.
A Practical Guide for Structural Variation Detection in the Human Genome
Authors: Yang Lixing 
Published: August 2020

AbstractProfiling genetic variants—including single nucleotide variants, small insertions and deletions, copy number variations, and structural variations (SVs)—from both healthy individuals and individuals with disease is a key component of genetic and biomedical research. SVs are large‐scale changes in the genome and involve breakage and rejoining of DNA fragments. They may affect thousands to millions of nucleotides and can lead to loss, gain, and reshuffling of genes and regulatory elements. SVs are known to impact gene expression and potentially result in altered phenotypes and diseases. Therefore, identifying SVs from the human genomes is particularly important. In this review, I describe advantages and disadvantages of the available high‐throughput assays for the discovery of SVs, which are the most challenging genetic alterations to detect. A practical guide is offered to suggest the most suitable strategies for discovering different types of SVs including common germline, rare, somatic, and complex variants. I also discuss factors to be considered, such as cost and performance, for different strategies when designing experiments. Last, I present several approaches to identify potential SV artifacts caused by samples, experimental procedures, and computational analysis. © 2020 Wiley Periodicals LLC.
Enzyme Immobilization in Covalent Organic Frameworks: Strategies and Applications in Biocatalysis
Authors: Oliveira Felipe L. , de S. França Alexandre , de Castro Aline Machado , Alves de Souza Rodrigo O. M. , Esteves Pierre M. , Gonçalves Raoni Schroeder B. 
Published: August 2020

AbstractThe development of efficient catalytic systems is a fundamental aspect for the straightforward production of chemicals. During the last years, covalent organic frameworks (COFs) emerged as an exciting class of organic nanoporous materials. Due to their pre‐designable structure, they can be prepared with distinct physicochemical characteristics, specific pore sizes, and tunable functional groups. Moreover, associated with their stability in different media, these materials are considered promising supports for enzyme immobilization. Herein, it is highlighted the recent literature of enzyme immobilization in COFs, the main immobilization strategies, and the catalytic applications of these composites.
A Carbon Catalyst Co‐Doped with P and N for Efficient and Selective Oxidation of 5‐Hydroxymethylfurfural into 2,5‐Diformylfuran
Authors: Zhang Huifa , Clark James H. , Geng Tong , Zhang Huixian , Cao Fahai 
Published: August 2020

AbstractA newly designed N and P co‐doped carbon material has been developed to catalyze the conversion of 5‐hydroxymethylfurfural (HMF) to 2,5‐furandialdehyde (DFF) with unprecedented yield and selectivity and demonstrating a synergistic effect between the heteroatoms. The desired catalyst was first synthesized via a pyrolysis method using urea as the nitrogen and carbon source followed by calcination with phytic acid solution as the phosphorus source. The mass ratio of phytic acid to C3N4 and calcination temperature were varied to investigate their effects on catalyst synthesis and microstructure as well as subsequent catalytic activity in simple reaction systems under oxygen. The effect of reaction conditions on the final HMF conversion and DFF selectivity were also investigated systematically. The P−C−N‐5‐800 catalyst obtained with the optimized annealing temperature of 800 °C and mass ratio of phytic acid/C3N4 of 5 enabled a 99.5 % DFF yield at 120 °C for 9 h under 10 bar oxygen pressure, being the highest among any reported metal‐free heterogeneous catalyst to date. The excellent performance of P−C−N‐5‐800 could be ascribed to the synergy between N and P heteroatoms as well as the high content of graphitic‐N and the P−C species within the carbon structure. Reusability studies show that the P−C−N‐5‐800 catalyst was stable and reusable without deactivation. These results strongly suggest that P−C−N‐5‐800 is a promising catalyst for large‐scale production of DFF in a green manner.
Understanding the Molecular Structure of the Elastic and Thermoreversible AlCl3 : Urea/Polyethylene Oxide Gel Electrolyte
Authors: Miguel Álvaro , Fornari Rocco Peter , García Nuria , Bhowmik Arghya , Carrasco‐Busturia David , García‐Lastra Juan Maria , Tiemblo Pilar 
Published: August 2020

AbstractIt is possible to prepare elastic and thermoreversible gel electrolytes with significant electroactivity by dissolving minimal weight fractions of ultra‐high molecular weight polyethylene oxide (UHMW PEO) in an aluminum deep eutectic solvent (DES) electrolyte composed of AlCl3 and urea at a molar ratio of 1.5 : 1 (AlCl3/urea). The experimental vibrational spectra (FTIR and Raman) provide valuable information on the structure and composition of the gel electrolyte. However, the complexity of this system requires computational simulations to help interpretation of the experimental results. This combined approach allows us to elucidate the speciation of the DES liquid electrolyte in the gel and how it interacts with the polymer chains to give rise to an elastic network that retains the electroactivity of the liquid electrolyte to a very great extent. The observed reactions occur between the ether in the polymer and both the amine groups in urea and the aluminum species. Thus, similar elastomeric gels may likely be prepared with other aluminum liquid electrolytes, making this procedure an effective way to produce families of gel aluminum electrolytes with tunable rheology and electroactivity.
Bio‐Based Cycloalkanes: The Missing Link to High‐Performance Sustainable Jet Fuels
Authors: Muldoon Jake A. , Harvey Benjamin G. 
Published: August 2020

AbstractThe development of sustainable energy solutions that reduce global carbon emissions, while maintaining high living standards, is one of the grand challenges of the current century. Transportation fuels are critical to economic development, globalization, and the advancement of society. Although ground vehicles and small aircraft are beginning a slow transition toward electric propulsion with energy sourced from solar radiation or wind, the extreme power requirements of jet aircraft require a more concentrated source of energy that is conveniently provided by liquid hydrocarbon fuels. This Review describes recent efforts to develop efficient routes for the conversion of crude biomass sources (e. g., lignocellulose) to cycloalkanes. These cycloalkanes impart advantageous properties to jet fuels, including increased density, higher volumetric heat of combustion, and enhanced operability. The combination of bio‐based cycloalkanes and synthetic paraffinic kerosenes allows for the preparation of 100 % bio‐based fuels that can outperform conventional petroleum‐based fuels. In this Review methods are described that convert biomass‐derived small molecules, including furfural, furfuryl alcohol, 5‐hydroxymethylfurfural, cyclic ketones, phenolics, acyclic ketones, cyclic alcohols, furans, esters, and alkenes to high‐density cycloalkanes. In addition to describing the chemical transformations and catalysts that have been developed to efficiently produce various cycloalkanes, this Review includes summaries of key fuel properties, which highlight the ability to generate fuels with customized performance metrics. This work is intended to inspire other researchers to study the conversion of sustainable feedstocks to full‐performance aviation fuels. An acceleration of this research is critical to reducing the carbon footprint of commercial and military aviation on a timescale that will help blunt the impacts of global warming.
A novel flash‐like all‐metal‐oxide semiconductor analog‐to‐digital converter suitable for system on chips systems
Authors: Abdalla Yasser S. 
Published: August 2020

SummaryThe analog‐to‐digital converters (ADCs) play a very important role in electronic products, radar, communication systems and signal processing, to name such a few. In this paper, a novel all‐metal‐oxide semiconductor (MOS) flash‐like analog‐to‐digital converter (FLADC) that consists of five stages is proposed. The design was performed using only MOS transistors, and the proposed ADC works in a way similar to the conventional flash ADC. According to the proposed ADC, there is no need for the comparators used in the conventional flash ADCs, thus resulting in a reduction in both the transistor count and the power consumption. The sound operation and the superiority of the proposed ADC compared to previous works is verified by simulation using the 0.13‐μm complementary MOS (CMOS) technology with a power‐supply voltage, VDD, of 1.2 V. The simulation has been conducted on a 5‐bit FLADC that is built by 276 MOS transistors only which is approximately 32% of the transistor count of the corresponding conventional flash ADC and has no resistors. According to the simulation results, the proposed 5‐bit FLADC consumes 3.23 mW at sampling rate of 0.5 GS/s.
Reintroduced grazers and prescribed fire effects on beetle assemblage structure and function in restored grasslands
Authors: Nelson Melissa , Hosler Sheryl C. , Boetzl Fabian A. , Jones Holly P. , Barber Nicholas A. 
Published: August 2020

AbstractEcological restoration seeks to reestablish functioning ecosystems, but planning and evaluation often focus on taxonomic community structure and neglect consumers and their functional roles. The functional trait composition of insect assemblages, which make up the majority of animal diversity in many systems, can reveal how they are affected by restoration management and the consequences for ecosystem function. We sampled ground beetle (Coleoptera: Carabidae) assemblages in restored tallgrass prairies varying in management with prescribed fire and reintroduced American bison (Bison bison) to describe their taxonomic and functional trait structure. We also measured seed and arthropod predation to relate management, beetle assemblage characteristics, and function, and to test if function is maximized by trait diversity, dominant trait values, or beetle abundance. Beetle assemblages primarily varied with restoration age, declining over time in richness and both taxonomic and functional diversity, but bison presence also influenced taxonomic composition. Prescribed fire reduced seed predation in summer and arthropod predation in fall. Although seed predation was unrelated to beetle assemblages, arthropod predation was greater in sites with higher abundances of carnivorous ground beetles. The relatively weak impacts of fire and bison on functional assemblage structure is a promising sign that these management disturbances, aimed at supporting a diverse native plant community, are not detrimental to beetle assemblages. The significance of reduced predator function following prescribed fire will depend on the restoration context and whether seed or arthropod predation relates to management goals.