bluuebunny/crossref_metadata_2025_split huggingface dataset:
Rapid and multiplex detection of nosocomial pathogens on a phage‐based magnetoresistive lab‐on‐chip platform
Authors: Cunha Alexandra P. , Henriques Raquel , Cardoso Susana , Freitas Paulo P. , Carvalho Carla M. 
Published: May 2021

AbstractNosocomial or hospital‐acquired infections (HAIs) have a major impact on mortality worldwide. Enterococcus and Staphylococcus are among the leading causes of HAIs and thus are important pathogens to control mainly due to their increased antibiotic resistance. The gold‐standard diagnostic methods for HAIs are time‐consuming, which hinders timely and adequate treatment. Therefore, the development of fast and accurate diagnostic tools is an urgent demand. In this study, we combined the sensitivity of magnetoresistive (MR) sensors, the portability of a lab‐on‐chip platform, and the specificity of phage receptor binding proteins (RBPs) as probes for the rapid and multiplex detection of Enterococcus and Staphylococcus. For this, bacterial cells were firstly labelled with magnetic nanoparticles (MNPs) functionalized with RBPs and then measured on the MR sensors. The results indicate that the RBP‐MNPS provided a specific individual and simultaneous capture of more than 70% of Enterococcus and Staphylococcus cells. Moreover, high signals from the MR sensors were obtained for these samples, providing the detection of both pathogens at low concentrations (10 CFU/ml) in less than 2 h. Overall, the lab‐on‐chip MR platform herein presented holds great potential to be used as a point‐of‐care for the rapid, sensitive and specific multiplex diagnosis of bacterial infections.
Enzymatic Friedel‐Crafts Alkylation Using Squalene‐Hopene Cyclases
Authors: Henche Sabrina , Nestl Bettina M. , Hauer Bernhard 
Published: May 2021

AbstractThe Friedel‐Crafts alkylation constitutes one of the most important reactions for the formation of carbon‐carbon bonds. Here, we report the Friedel‐Crafts alkylation using squalene‐hopene cyclases, which provides a biological alternative to the traditional strategy. The squalene‐hopene cyclase from Alicyclobacillus acidocaldarius (AacSHC) and variants have been demonstrated to have a broad substrate and reaction scope, making them valuable for potential applications in biocatalysis. Notably, the Friedel‐Crafts alkylation of the substrate geranyl phenyl ether was found to be highly regioselective. Furthermore, squalene‐hopene cyclases exhibit promiscuous activity in catalyzing the hydration of geranyl phenyl ether in an aqueous buffer. Finally, we have analyzed the roles of various active‐site residues and studied their influence on the reaction and product specificity. These findings highlight the promise of enzymatic catalysis for enabling selective C−C bond formations.
Pseudocapacitive Redox Polymers as Battery Materials: A Proof‐of‐Concept All‐Polymer Aqueous Battery
Authors: Dieckhöfer Stefan , Medina Danea , Ruff Adrian , Conzuelo Felipe , Schuhmann Wolfgang 
Published: May 2021

AbstractRedox polymers with distinct redox units have been long recognized for their pseudocapacitive and reversible charge storage behaviour. Many systems investigated so far have utilized organic electrolytes and/or have coupled a redox polymer half‐cell to a non‐polymer counter electrode. However, due to safety and sustainability considerations, aqueous electrolyte based charge storage in all‐polymer configurations is considered a promising option for possible future applications. We present a strategy based on pseudocapacitive charge storage in Osmium‐complex and viologen‐modified redox polymers with specifically designed poly(vinylimidazole)‐ and poly(vinylpyridine)‐based backbones. We couple both redox polymers in an aqueous battery configuration, demonstrating Nernst‐potential driven energy storage. Electrochemical characterization in a concentric three‐electrode Swagelok cell and coin cells reveals stable reversible capacities over more than 1800 cycles, with nearly quantitative coulombic efficiencies (>99.4 %) for the coin cells.
On the signal contribution function with respect to different norms
Authors: Neymeyr Klaus , Sawall Mathias , Olivieri Alejandro C. 
Published: May 2021

AbstractThe signal contribution function (SCF) in multivariate curve resolution evaluates signal portions of specific components either in absolute or in relative form related to the integrated signal of all components. In 1999, Gemperline used the summed signal data, and in 2001, Tauler worked with the square‐summed relative signal in order to determine the profiles that minimize, respectively maximize, the signal contribution. These profiles approximate the bands of all feasible profiles. Here, Gemperline's approach using the entrywise 1‐matrix norm is proved to provide accurate bounds for two‐component systems. This revives the approach of summed mass or absorption values with its potentially better chemical interpretability.
Novel Pyridine‐Containing Sultones: Structure‐Activity Relationship and Biological Evaluation as Selective AChE Inhibitors for the Treatment of Alzheimer's disease
Authors: Zhang Hong , Wu Chengyao , Chen Xing , Zhang Ziwen , Jiang Xia , Qin Hua‐Li , Tang Wenjian 
Published: May 2021

AbstractNovel pyridine‐containing sultones were synthesized and evaluated for their cholinesterase (ChE) inhibitory activity. Most of compounds showed selective acetylcholinesterase (AChE) inhibitory activity. The structure‐activity relationship (SAR) showed: (i) the fused pyridine‐containing sultones increase AChE inhibition, series B>series A; (ii) for series A, the effect of the 4‐substituent on AChE activity, p‐>m‐ or o‐; (iii) for series B, a halophenyl group increase activity. Compound B4 (4‐(4‐chlorophenyl)‐2,2‐dioxide‐3,4,5,6‐tetrahydro‐1,2‐oxathiino[5,6‐h]quinoline) was identified as a selective AChE inhibitor (IC50=8.93 μM), and molecular docking studies revealed a good fit into TcAChE via hydrogen interactions between the δ‐pyridylsultone scaffold with Asp72, Ser122, Phe288, Phe290 and Trp84. Compound B4 showed reversible and non‐competitive (Ki=7.67 μM) AChE inhibition, nontoxicity and neuroprotective activity. In vivo studies confirmed that compound B4 could ameliorate the cognitive performance of scopolamine‐treated C57BL/6 J mice, suggesting a significant benefit of AChE inhibition for a disease‐modifying treatment of AD.
High‐performance SIMD modular arithmetic for polynomial evaluation
Authors: Fortin Pierre , Fleury Ambroise , Lemaire François , Monagan Michael 
Published: May 2021

SummaryTwo essential problems in computer algebra, namely polynomial factorization and polynomial greatest common divisor computation, can be efficiently solved thanks to multiple polynomial evaluations in two variables using modular arithmetic. In this article, we focus on the efficient computation of such polynomial evaluations on one single CPU core. We first show how to leverage SIMD (single instruction, multiple data) computing for modular arithmetic on AVX2 and AVX‐512 units, using both intrinsics and OpenMP compiler directives. Then we manage to increase the operational intensity and to exploit instruction‐level parallelism in order to increase the compute efficiency of these polynomial evaluations. All this results in the end to performance gains up to about 5x on AVX2 and 10x on AVX‐512.
Specific Versus Non‐specific Response in Exponential Molecular Amplification from Cross‐Catalysis: Modeling the Influence of Background Amplifications on the Analytical Performances
Authors: Branca Mathieu , Calvet Corentin , Limoges Benoît , Mavré François 
Published: May 2021

AbstractMolecule based signal amplifications relying on an autocatalytic process may represent an ideal strategy for the development of ultrasensitive analytical or bioanalytical assays, the main reason being the exponential nature of the amplification. However, to take full advantage of such amplification rates, high stability of the starting co‐reactants is required in order to avoid any undesirable background amplification. Here, on the basis of a simple kinetic model of cross‐catalysis including a certain degree of intrinsic instability of co‐reactants, we highlight the key parameters governing the analytical response of the system and discuss the analytical performances that are expected from a given kinetic set. In particular, we show how the detection limit is directly related to the relative instability of reactants within each catalytic loop. The model is validated with an experimental dataset and is intended to serve as a guide in the design and optimization of autocatalytic molecular‐based amplification systems with improved analytical performances.
Germanium‐Based Halide Perovskites: Materials, Properties, and Applications
Authors: Chiara Rossella , Morana Marta , Malavasi Lorenzo 
Published: May 2021

AbstractPerovskites are attracting an increasing interest in the wide community of photovoltaics, optoelectronic, and detection, traditionally relying on lead‐based systems. This Minireview provides an overview of the current status of experimental and computational results available on Ge‐containing 3D and low‐dimensional halide perovskites. While stability issues analogous to those of tin‐based materials are present, some strategies to afford this problem in Ge metal halide perovskites (MHPs) for photovoltaics have already been identified and successfully employed, reaching efficiencies of solar devices greater than 7 % at up to 500 h of illumination. Interestingly, some Ge‐containing MHPs showed promising nonlinear optical responses as well as quite broad emissions, which are worthy of further investigation starting from the basic materials chemistry perspective, where a large space for properties modulation through compositions/alloying/fnanostructuring is present.
Flavylium‐ and Silylrhodapolymethines In Excitation Multiplexing
Authors: Tian Conghe , Burgess Kevin 
Published: May 2021

AbstractCreation of a flavylium polymethine dye set enabled selection of two fluorophores that match common lasers for exciting in the near‐IR II region. Using these, researchers cast a broad net to catch any wavelength emission in the near‐IR II region, and relied on selective excitation to multiplex; this is a paradigm shift away from multiplexing via discrimination of emission wavelengths. Excitation multiplexing with flavylium dyes is a new and exciting strategy, but not yet a perfect one; it requires discrete water soluble fluorophores, including one that is turned on at 808 nm.
Effects of perennial ryegrass competition on bermudagrass and hybrid bermudagrass cover, biomass, and total nonstructural carbohydrate accumulation
Authors: Peppers John M. , Mittlesteadt Tyler L. , Askew Shawn D. 
Published: May 2021

AbstractTo extend golf play in early summer or hasten athletic field preparation in late summer, turf managers often desire to allow perennial ryegrass (Lolium perenne L.) to persist and compete with overseeded bermudagrass (Cynodon dactylon L. Pers.) or hybrid bermudagrass (Cynodon dactylon × C. transvaalensis Burtt Davy) during optimal growing conditions. Understanding how competition‐free growing degree‐days (CFGDD) influence bermudagrass total nonstructural carbohydrates (TNC), biomass, and visual green cover may aid in turf‐use scheduling. Twenty‐four weekly treatments of foramsulfuron eliminated perennial ryegrass competition in replicate plots and allowed assessment of competition‐free bermudagrass coverage, biomass, and TNC as related to cumulative heat and light units. Results from this study indicate that bermudagrass coverage is a function of cumulative CFGDD and competition‐free daily light integral (CFDLI) but is dependent on locations or years where cultivars or seasonal legacy are variable. At three locations, ‘Patriot’ and ‘Midiron’ hybrid bermudagrass and ‘Riviera’ bermudagrass required 603, 709, and 959 CFGDD and 2,447, 3,271, and 4,556 mol m–2 CFDLI to reach 97% coverage, respectively. Trends of TNC per unit area, however, continued to increase after full coverage was achieved and up to the point at which no more heat or light units were accumulated in fall. Absence of a clear asymptote in the trends suggests that heat or light units that were seasonally accumulated in Blacksburg, VA, were insufficient to achieve maximum bermudagrass carbohydrate reserves before winter dormancy.
Tailoring the Performance of ZnO for Oxygen Evolution by Effective Transition Metal Doping
Authors: Liang Qiuhua , Brocks Geert , Sinha Vivek , Bieberle‐Hütter Anja 
Published: May 2021

AbstractIn the quest for active and inexpensive (photo)electrocatalysts, atomistic simulations of the oxygen evolution reaction (OER) are essential for understanding the catalytic process of water splitting at solid surfaces. In this paper, the enhancement of the OER by first‐row transition‐metal (TM) doping of the abundant semiconductor ZnO was studied using density functional theory (DFT) calculations on a substantial number of possible structures and bonding geometries. The calculated overpotential for undoped ZnO was 1.0 V. For TM dopants in the 3d series from Mn to Ni, the overpotentials decreased from 0.9 V for Mn and 0.6 V for Fe down to 0.4 V for Co, and rose again to 0.5 V for Ni and 0.8 V for Cu. The overpotentials were analyzed in terms of the binding to the surface of the species involved in the four reaction steps of the OER. The Gibbs free energies associated with the adsorption of these intermediate species increased in the series from Mn to Zn, but the difference between OH and OOH adsorption (the species involved in the first, respectively the third reaction step) was always in the range 3.0–3.3 eV, despite a considerable variation in possible bonding geometries. The bonding of the O intermediate species (involved in the second reaction step), which is optimal for Co, and to a somewhat lesser extend for Ni, then ultimately determined the overpotential. These results implied that both Co and Ni are promising dopants for increasing the activity of ZnO‐based anodes for the OER.
Generation and characterization of a tamoxifen‐inducible Vsx1‐CreERT2 line to target V2 interneurons in the mouse developing spinal cord
Authors: Baudouin Charlotte , Pelosi Barbara , Courtoy Guillaume E. , Achouri Younes , Clotman Frédéric 
Published: May 2021

SummaryIn the spinal cord, ventral interneurons regulate the activity of motor neurons, thereby controlling motor activities including locomotion. Interneurons arise during embryonic development from distinct progenitor domains orderly distributed along the dorso‐ventral axis of the neural tube. The p2 progenitor domain generates at least five V2 interneuron populations. However, identification and characterization of all V2 populations remain currently incomplete and the mechanisms that control their development remain only partly understood. In this study, we report the generation of a Vsx1‐CreERT2 BAC transgenic mouse line that drives CreERT2 recombinase expression mimicking endogenous Vsx1 expression pattern in the developing spinal cord. We showed that the Vsx1‐CreERT2 transgene can mediate recombination in V2 precursors with a high efficacy and specificity. Lineage tracing demonstrated that all the V2 interneurons in the mouse developing spinal cord derive from cells expressing Vsx1. Finally, we confirmed that V2 precursors generate additional V2 populations that are not characterized yet. Thus, the Vsx1‐CreERT2 line described here is a useful genetic tool for lineage tracing and for functional studies of the mouse spinal V2 interneurons.
The patterns of left ventricular alteration by adipose tissue distribution: implication for heart failure prevention
Authors: Cai Anping , Liu Lin , Zhou Dan , Zhou Yingling , Tang Songtao , Feng Yingqing 
Published: May 2021

AbstractAimsThe current study aimed to evaluate the associations between general and abdominal obesity with left ventricular (LV) structure and function and whether these associations differed by sex.Methods and resultsThis is a community‐based cross‐sectional study, and 971 hypertensive individuals without overt cardiovascular disease were included. General obesity was defined as body mass index (BMI) ≥ 28 kg/m2, and abdominal obesity was defined as waist circumference (WC) ≥ 90 cm for men and ≥85 cm for women. The associations between general and abdominal obesity with LV structure and function were examined using linear regression analysis, and the interaction by sex was performed. The mean age was 66.5 ± 11.4 years, and women accounted for 62%. General obese individuals (n = 205) were more likely to have concentric remodelling, LV hypertrophy, and worse diastolic function. Similar differences were observed in abdominal obese individuals (n = 593). General obesity was associated with LV end‐diastolic volume, LV mass, left atrial volume, and septal E/e' ratio after adjusting for WC and clinical covariates; and abdominal obesity was associated with septal e' velocity after adjusting for BMI and clinical covariates. The associations between general obesity with LV structure and function did not differ by sex, while the magnitudes of the associations between abdominal obesity with LV mass and septal e' velocity were greater in men.ConclusionsGeneral and abdominal obesity were associated with different patterns of LV structural and functional alterations, stressing the importance of incorporating BMI and WC measurements into assessing obesity‐related LV alterations.
Synthesis of 3‐Amino‐4‐iodothiophenes through Iodocyclization of 1‐(1,3‐Dithian‐2‐yl)propargylamines
Authors: Ismailoglu Eda , Mert Zeynep , Dinc Mert , Kaya Kerem , Yucel Baris 
Published: May 2021

Abstract1‐(1,3‐Dithian‐2‐yl)propargylamines undergo iodo‐cylization regioselectively to afford tetrasubstituted 3‐amino‐4‐iodothiophenes in 30–87 % yields by iodide induced cleavage of dithiane ring in a bicyclic sulfonium intermediate. A mechanism for this unprecedented transformation was proposed and tentatively supported by the isolation of an intermediate structure. 1‐(1,3‐Dithian‐2‐yl)propargylamines were prepared in 30–94 % yields by Au‐catalyzed one‐pot, three‐component reaction of 1,3‐dithiane‐2‐carbaldehydes, amines, and alkynes so called A3‐coupling reaction.
Evidence for a gradient within the medial temporal lobes for flexible retrieval under hierarchical task rules
Authors: Brown Thackery I. , He Qiliang , Aselcioglu Irem , Stern Chantal E. 
Published: May 2021

AbstractA fundamental question in memory research is how the hippocampus processes contextual cues to retrieve distinct mnemonic associations. Prior research has emphasized the importance of hippocampal–prefrontal interactions for context‐dependent memory. Our fMRI study examined the human medial temporal lobes (MTL) and their prefrontal interactions when retrieving memories associated with hierarchically organized task contexts. Participants learned virtual object‐location associations governed by subordinate and superordinate task rules, which could be independently cued to change. On each fMRI trial, participants retrieved the correct object for convergent rule and location contextual information. Results demonstrated that hippocampal activity and hippocampal–prefrontal functional interconnectivity distinguished retrieval under different levels of hierarchically organized task rules. In explicit contrast to the hippocampal tail, anterior (body and head) regions were recruited specifically for superordinate changes in the contextual hierarchy. The hippocampal body also differed in its functional connectivity with the prefrontal cortex for superordinate versus subordinate changes. Our findings demonstrate a gradient in MTL for associative retrieval under changing task rules, and advance understanding of hippocampal–prefrontal interactions that support flexible contextual memory.
Complications of cytoreductive surgery plus hyperthermic intraperitoneal chemotherapy: An evaluation of 100 cases
Authors: Akilli Huseyin , Gunakan Emre , Haberal Ali , Altundag Ozden , Kuscu Ulku Esra , Taskiran Cagatay , Ayhan Ali 
Published: May 2021

AbstractObjectiveTo evaluate the perioperative outcomes and complications of patients with peritoneal carcinomatosis who underwent cytoreductive surgery plus hyperthermic intraperitoneal chemotherapy (HIPEC).MethodsThis retrospective study included 100 patients operated on between 2016 and 2020. Patients’ characteristics, including age, comorbidities, chemotherapy history, treatment failures, cancer type, histology, platinum sensitivity, and perioperative complications, were documented. Perioperative complications were classified according to the Clavien‐Dindo classification.ResultsMedian age was 58 years and median follow‐up time was 16 months. Eighty‐six (86%) patients had ovarian cancer; 11 (11%) experienced grade III–IV complications, and the only relevant factor was the presence of multiple metastasis (P = 0.031). Seven patients (7%) had surgical‐site infection; in multivariant analyses, only ostomy formation was found as an independent risk factor for surgical‐site infection (odds ratio [OR] 14.01; 95% confidence interval [CI] 1.36–143.52; P = 0.024). Fifteen (15%) patients experienced elevated serum creatinine after surgery and the median time to creatinine elevation was 5 days postoperatively (range 3–15 days). In multivariant analyses, only age of of 58 years or more was found as a significant factor for the elevation of serum creatinine (OR 6.96; 95% CI 1.42–32.81; P = 0.014).ConclusionOur results showed that the presence of multiple metastases increased the risk of grade III–IV complications and age of 58 years or more was the leading risk factor for renal complications. However, we could not find a relation between postoperative complications and oncologic outcomes. HIPEC seems to be a safe approach in experienced hands.
Cell‐associated type I collagen in nondegenerate and degenerate human articular cartilage
Authors: Styczynska‐Soczka Katarzyna , Amin Anish K. , Hall Andrew C. 
Published: May 2021

AbstractChondrocytes with abnormal morphology are present in nondegenerate human cartilage suggesting dedifferentiation to a fibroblastic phenotype and production of a mechanically‐weakened matrix of unknown composition. We determined the relationship between in situ chondrocyte morphology, chondrocyte clusters, and levels of cell‐associated collagen type I. Chondrocyte morphology in fresh femoral head cartilage from 19 patients with femoral neck fracture and collagen type I labelling was identified with Cell TrackerTM fluorescence and immunofluorescence, respectively, in axial/coronal orientations using confocal microscopy with images analysed by ImarisTM. In axial images of grade 0 cartilage, 87 ± 8% were normal chondrocytes with a small (10 ± 6%) abnormal population possessing ≥1 cytoplasmic process. More normal chondrocytes (78 ± 11%) were collagen type I negative than those labelling positively (p < 0.001). For abnormal chondrocytes, 81 ± 14% labelled negatively for collagen type I compared to those labelling positively (19 ± 3%; p = 0.007; N(n)=11(3)). Overall, approximately 9% of the cells in normal cartilage labelled for collagen type I. With degeneration, the percentage of normal chondrocytes decreased (p < 0.001) but increased for abnormal cells (p = 0.036) and clusters (p = 0.003). A larger percentage of normal, abnormal and clustered chondrocytes now demonstrated collagen type I labelling (p = 0.004; p = 0.009; p = 0.001 respectively). Coronal images exhibited increased (p = 0.001) collagen type I labelling in the superficial zone of mildly degenerate cartilage with none in the mid or deep zones. These results show that collagen type I was identified around normal and abnormal chondrocytes in nondegenerate cartilage, which increased with degeneration. This suggested the presence of mechanically weak fibro‐cartilaginous repair tissue in otherwise macroscopically nondegenerate human cartilage which progressed with degeneration as occurs in osteoarthritis.