bluuebunny/crossref_metadata_2025_split huggingface dataset:
Computational study of the unimolecular and bimolecular decomposition mechanisms of propylamine
Authors: Almatarneh Mansour H. , Al Omari Rima , Omeir Reema A. , Al Khawaldeh Ahmad , Afaneh Akef T. , Sinnokrot Mutasem , Al Akhras Alaa , Marashdeh Ali 
Published: July 2020

AbstractA detailed computational study of the dehydrogenation reaction of trans-propylamine (trans-PA) in the gas phase has been performed using density functional method (DFT) and CBS-QB3 calculations. Different mechanistic pathways were studied for the reaction of n-propylamine. Both thermodynamic functions and activation parameters were calculated for all investigated pathways. Most of the dehydrogenation reaction mechanisms occur in a concerted step transition state as an exothermic process. The mechanisms for pathways A and B comprise two key-steps: H2 eliminated from PA leading to the formation of allylamine that undergoes an unimolecular dissociation in the second step of the mechanism. Among these pathways, the formation of ethyl cyanide and H2 is the most significant one (pathway B), both kinetically and thermodynamically, with an energy barrier of 416 kJ mol−1. The individual mechanisms for the pathways from C to N involve the dehydrogenation reaction of PA via hydrogen ion, ammonia ion and methyl cation. The formation of α-propylamine cation and NH3 (pathway E) is the most favorable reaction with an activation barrier of 1 kJ mol−1. This pathway has the lowest activation energy calculated of all proposed pathways.
Comparative physiological and root proteome analyses of two sorghum varieties responding to water limitation
Authors: Goche Tatenda , Shargie Nemera G. , Cummins Ian , Brown Adrian P. , Chivasa Stephen , Ngara Rudo 
Published: July 2020

AbstractWhen exposed to drought stress many plants reprogram their gene expression to activate adaptive biochemical and physiological responses for survival. However, most of the well-studied adaptive responses are common between drought-sensitive and drought-tolerant species, making it difficult to identify the key mechanisms underpinning successful drought tolerance in crops. We developed a sorghum experimental system that compares between drought-sensitive (ICSB338) and enhanced drought-tolerant (SA1441) varieties. We show that sorghum activates a swift and robust stomatal shutdown to preserve leaf water content when water stress has been sensed. Water uptake is enhanced via increasing root cell water potential through the rapid biosynthesis of predominantly glycine betaine and an increased root-to-shoot ratio to explore more soil volume for water. In addition to stomatal responses, there is a prompt accumulation of proline in leaves and effective protection of chlorophyll during periods of water limitation. Root and stomatal functions rapidly recover from water limitation (within 24 h of re-watering) in the drought-tolerant variety, but recovery is impaired in the drought-sensitive sorghum variety. Analysis of the root proteome revealed complex protein networks that possibly underpin sorghum responses to water limitation. Common and unique protein changes between the two sorghum varieties provide new targets for future use in investigating sorghum drought tolerance.
Optical phonons of SnSe(1−x)Sx layered semiconductor alloys
Authors: Sriv Tharith , Nguyen Thi Minh Hai , Lee Yangjin , Lim Soo Yeon , Nguyen Van Quang , Kim Kwanpyo , Cho Sunglae , Cheong Hyeonsik 
Published: July 2020

AbstractThe evolution of the optical phonons in layered semiconductor alloys SnSe(1–x)Sx is studied as a function of the composition by using polarized Raman spectroscopy with six different excitation wavelengths (784.8, 632.8, 532, 514.5, 488, and 441.6 nm). The polarization dependences of the phonon modes are compared with transmission electron diffraction measurements to determine the crystallographic orientation of the samples. Some of the Raman modes show significant variation in their polarization behavior depending on the excitation wavelengths. It is established that the maximum intensity direction of the Ag2 mode of SnSe(1−x)Sx (0 ≤ x ≤ 1) does not depend on the excitation wavelength and corresponds to the armchair direction. It is additionally found that the lower-frequency Raman modes of Ag1, Ag2 and B3g1 in the alloys show the typical one-mode behavior of optical phonons, whereas the higher-frequency modes of B3g2, Ag3 and Ag4 show two-mode behavior.
Does fertilization with dehydrated sewage sludge affect Terminalia argentea (Combretaceae) and associated arthropods community in a degraded area?
Authors: Carvalho Jó Cássio Nascimento , Silva Farley William Souza , Leite Germano Leão Demolin , Azevedo Alcinei Mistico , Teixeira Gustavo Leal , Soares Marcus Alvarenga , Zanuncio José Cola , Legaspi Jesusa Crisostomo 
Published: July 2020

AbstractNutrients from dehydrated sewage sludge play an essential role in the development of many plants such as Terminalia argentea, in the recovery of degraded areas. The aims were to assess the abundance, diversity and species richness of phytophagous, pollinators and predators arthropods, as well as the percentage of defoliation of T. argentea trees, fertilized (or not) with dehydrated sewage sludge in a degraded area. The abundance, diversity and species richness of phytophagous Coleoptera and total predators (predator insects + protocooperating ants + spiders); abundance and species richness of Diptera, pollinator insects, spiders, and predators (predator insects + spiders) were higher on trees fertilized with dehydrated sewage sludge. The abundance of phytophagous Coleoptera declined with the presence of phytophagous Hemiptera and protocooperating ants; population of phytophagous Orthoptera declined in response to phytophagous Coleoptera and total predators; the numbers of the leafminer Lyriomyza sp. directly increased with the numbers of spiders. The ecological indices of phytophagous, pollinators, and predator arthopods increased on Terminalia argentea trees fertilized with dehydrated sewage sludge; such a better ecological indices in fertilized than in unfertilized trees, show it more suitable for the recovery of degraded areas. We discuss the competition between phytophagous insects groups as well as herbivory reduction by predators.
A deep learning model for detecting mental illness from user content on social media
Authors: Kim Jina , Lee Jieon , Park Eunil , Han Jinyoung 
Published: July 2020

AbstractUsers of social media often share their feelings or emotional states through their posts. In this study, we developed a deep learning model to identify a user’s mental state based on his/her posting information. To this end, we collected posts from mental health communities in Reddit. By analyzing and learning posting information written by users, our proposed model could accurately identify whether a user’s post belongs to a specific mental disorder, including depression, anxiety, bipolar, borderline personality disorder, schizophrenia, and autism. We believe our model can help identify potential sufferers with mental illness based on their posts. This study further discusses the implication of our proposed model, which can serve as a supplementary tool for monitoring mental health states of individuals who frequently use social media.
Monodisperse palladium–cobalt alloy nanocatalyst supported on activated carbon (AC) as highly effective catalyst for the DMAB dehydrocoupling
Authors: Sen Betul , Acidereli Hilal , Karaman Neslihan , Sen Fatih 
Published: July 2020

AbstractIn the study, activated carbon (AC) supported palladium/cobalt (Pd/Co) nanocatalyst was synthesized to achieve hydrogen release from dimethylamine boron (DMAB). Nanocatalyst were produced by the reduction of Pd2+ and Co2+ cations by the ultrasonic double reduction method. Analytical studies of the synthesized nanomaterials were characterized by X-ray photoelectron spectroscopy, Raman spectroscopy, X-ray diffraction, transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HR-TEM), electron energy loss spectroscopy, ultraviolet–visible spectroscopy. In this research, nanomaterials exhibited high catalytic activity and reusability, and great performance at low temperatures and concentrations. For the dehydrogenation reaction of dimethylamine borane, TOF and Ea were calculated as 379.5 h−1 and 75.86 kJ mol−1, respectively. The PdCo@AC nanocatalyst can be used as a promising catalyst for the hydrogen production reaction from DMAB.
Rationale for the design of 3D-printable bioresorbable tissue-engineering chambers to promote the growth of adipose tissue
Authors: Faglin Pierre , Gradwohl Marion , Depoortere César , Germain Nicolas , Drucbert Anne-Sophie , Brun Stéphanie , Nahon Claire , Dekiouk Salim , Rech Alexandre , Azaroual Nathalie , Maboudou Patrice , Payen Julien , Danzé Pierre-Marie , Guerreschi Pierre , Marchetti Philippe 
Published: July 2020

AbstractTissue engineering chambers (TECs) bring great hope in regenerative medicine as they allow the growth of adipose tissue for soft tissue reconstruction. To date, a wide range of TEC prototypes are available with different conceptions and volumes. Here, we addressed the influence of TEC design on fat flap growth in vivo as well as the possibility of using bioresorbable polymers for optimum TEC conception. In rats, adipose tissue growth is quicker under perforated TEC printed in polylactic acid than non-perforated ones (growth difference 3 to 5 times greater within 90 days). Histological analysis reveals the presence of viable adipocytes under a moderate (less than 15% of the flap volume) fibrous capsule infiltrated with CD68+ inflammatory cells. CD31-positive vascular cells are more abundant at the peripheral zone than in the central part of the fat flap. Cells in the TEC exhibit a specific metabolic profile of functional adipocytes identified by 1H-NMR. Regardless of the percentage of TEC porosity, the presence of a flat base allowed the growth of a larger fat volume (p < 0.05) as evidenced by MRI images. In pigs, bioresorbable TEC in poly[1,4-dioxane-2,5-dione] (polyglycolic acid) PURASORB PGS allows fat flap growth up to 75 000 mm3 at day 90, (corresponding to more than a 140% volume increase) while at the same time the TEC is largely resorbed. No systemic inflammatory response was observed. Histologically, the expansion of adipose tissue resulted mainly from an increase in the number of adipocytes rather than cell hypertrophy. Adipose tissue is surrounded by perfused blood vessels and encased in a thin fibrous connective tissue containing patches of CD163+ inflammatory cells. Our large preclinical evaluation defined the appropriate design for 3D-printable bioresorbable TECs and thus opens perspectives for further clinical applications.
Spectrochemical analysis in blood plasma combined with subsequent chemometrics for fibromyalgia detection
Authors: Passos João Octávio Sales , dos Santos Alves Marcelo Victor , Morais Camilo L. M. , Martin Francis L. , Cavalcante Antônio Felipe , Lemos Telma Maria Araújo Moura , Moura Shayanne , Freitas Daniel L. D. , Mariz João Vitor Medeiros , Carvalho Jean Lucas , Lima Kássio M. G. , Pegado Rodrigo 
Published: July 2020

AbstractFibromyalgia is a rheumatologic condition characterized by multiple and chronic body pain, and other typical symptoms such as intense fatigue, anxiety and depression. It is a very complex disease where treatment is often made by non-medicated alternatives in order to alleviate symptoms and improve the patient’s quality of life. Herein, we propose a method to detect patients with fibromyalgia (n = 252, 126 controls and 126 patients with fibromyalgia) through the analysis of their blood plasma using attenuated total reflection Fourier-transform infrared (ATR-FTIR) spectroscopy in conjunction with chemometric techniques, hence, providing a low-cost, fast and accurate diagnostic approach. Different chemometric algorithms were tested to classify the spectral data; genetic algorithm with linear discriminant analysis (GA-LDA) achieved the best diagnostic results with a sensitivity of 89.5% in an external test set. The GA-LDA model identified 24 spectral wavenumbers responsible for class separation; amongst these, the Amide II (1,545 cm−1) and proteins (1,425 cm−1) were identified to be discriminant features. These results reinforce the potential of ATR-FTIR spectroscopy with multivariate analysis as a new tool to screen and detect patients with fibromyalgia in a fast, low-cost, non-destructive and minimally invasive fashion.
The DMCdrive: practical 3D-printable micro-drive system for reliable chronic multi-tetrode recording and optogenetic application in freely behaving rodents
Authors: Kim Hoseok , Brünner Hans Sperup , Carlén Marie 
Published: July 2020

AbstractElectrophysiological recording and optogenetic control of neuronal activity in behaving animals have been integral to the elucidation of how neurons and circuits modulate network activity in the encoding and causation of behavior. However, most current electrophysiological methods require substantial economical investments and prior expertise. Further, the inclusion of optogenetics with electrophysiological recordings in freely moving animals adds complexity to the experimental design. Expansion of the technological repertoire across laboratories, research institutes, and countries, demands open access to high-quality devices that can be built with little prior expertise from easily accessible parts of low cost. We here present an affordable, truly easy-to-assemble micro-drive for electrophysiology in combination with optogenetics in freely moving rodents. The DMCdrive is particularly suited for reliable recordings of neurons and network activities over the course of weeks, and simplify optical tagging and manipulation of neurons in the recorded brain region. The highly functional and practical drive design has been optimized for accurate tetrode movement in brain tissue, and remarkably reduced build time. We provide a complete overview of the drive design, its assembly and use, and proof-of-principle demonstration of recordings paired with cell-type-specific optogenetic manipulations in the prefrontal cortex (PFC) of freely moving transgenic mice and rats.
Proteomics analysis of FUS mutant human motoneurons reveals altered regulation of cytoskeleton and other ALS-linked proteins via 3′UTR binding
Authors: Garone Maria Giovanna , Alfano Vincenzo , Salvatori Beatrice , Braccia Clarissa , Peruzzi Giovanna , Colantoni Alessio , Bozzoni Irene , Armirotti Andrea , Rosa Alessandro 
Published: July 2020

AbstractIncreasing evidence suggests that in Amyotrophic Lateral Sclerosis (ALS) mutated RNA binding proteins acquire aberrant functions, leading to altered RNA metabolism with significant impact on encoded protein levels. Here, by taking advantage of a human induced pluripotent stem cell-based model, we aimed to gain insights on the impact of ALS mutant FUS on the motoneuron proteome. Label-free proteomics analysis by mass-spectrometry revealed upregulation of proteins involved in catabolic processes and oxidation–reduction, and downregulation of cytoskeletal proteins and factors directing neuron projection. Mechanistically, proteome alteration does not correlate with transcriptome changes. Rather, we observed a strong correlation with selective binding of mutant FUS to target mRNAs in their 3′UTR. Novel validated targets, selectively bound by mutant FUS, include genes previously involved in familial or sporadic ALS, such as VCP, and regulators of membrane trafficking and cytoskeleton remodeling, such as ASAP1. These findings unveil a novel mechanism by which mutant FUS might intersect other pathogenic pathways in ALS patients’ motoneurons.
Evaluations of effects of sleep surfaces on athletic performance in youth
Authors: Maruyama Takashi , Sato Shinichi , Matsumura Mari , Ono Taisuke , Nishida Masaki , Nishino Seiji 
Published: July 2020

AbstractWe recently demonstrated that sleeping on high rebound [HR] mattress toppers induced a continuous and more rapid decline in core body temperature compared to low rebound [LR] mattress toppers during the initial phase of nocturnal sleep in young healthy volunteers. HR toppers are characterized by their supportive feel and high breathability whereas LR toppers are pressure-absorbing. In the current study, we evaluated effects of HR mattress toppers on objectively-(actigraphy) and subjectively-(questionnaires) evaluated sleep, vigilance (psychomotor vigilance test), and athletic performance (40-m sprint time, long jump distance, and star drill time) in youth male athletes age 10–19, in two sessions: fifty-one subjects in 2013 (study I) and 23 subjects in 2014 (study II). Sleeping on HR mattress toppers for four to six weeks improved some athletic performance measures compared to sleeping on LR or sleeping directly on spring mattresses without a topper. Statistically significant improvements in 40-m sprint time in study I (compared to LR) and in star drill time in study II (no topper) were observed. No changes in sleep and psychomotor vigilance were observed. These results suggest selecting optimal sleep surfaces may contribute to the maximization of athletic performances, and further studies are warranted.
Evaluation of the microencapsulation of orange essential oil in biopolymers by using a spray-drying process
Authors: Aguiar Maria Clara Santana , das Graças Fernandes da Silva Maria Fátima , Fernandes João Batista , Forim Moacir Rossi 
Published: July 2020

AbstractEssential oils are volatile compounds commonly used by several industries, easily degradable, which restrains their applications. Therefore, we developed and validated a methodology for producing microcapsules loaded with orange essential oil, using a spray-drying process. The experimental design results showed that the combination between a low flow transfer rate (0.15 L h−1) of the colloidal suspension, a higher drying air flow rate (536 L h−1), and an inlet air temperature of 150 °C to the spray-dryer were the most important parameters for the atomization efficiency. The method optimization resulted in microcapsules with powder recovery between 7.6 and 79.9% (w w−1), oil content ranging from 8.9 to 90.4% (w w−1), encapsulation efficiency between 5.7 and 97.0% (w w−1), and particle sizes with a high frequency of distribution less than 4 μm. In these experiments, gelatin and lignin were evaluated as biopolymers of encapsulation. We also developed an analytical method using headspace gas chromatography. The matrix effects could be addressed by using matrix-matched calibration curves. The chromatographic analysis was linear and selective for d-limonene between 0.025 and 3.00 µg mL−1, with correlation coefficients higher than 0.99. The analytical method had limits of detection and quantitation of 0.024 and 0.073 mg g−1 for gelatin and 0.039 and 0.119 mg g−1 for lignin, respectively.
Differential impact of thermal and physical permafrost disturbances on High Arctic dissolved and particulate fluvial fluxes
Authors: Beel C. R. , Lamoureux S. F. , Orwin J. F. , Pope M. A. , Lafrenière M. J. , Scott N. A. 
Published: July 2020

AbstractClimate warming and changing precipitation patterns have thermally (active layer deepening) and physically (permafrost-thaw related mass movements) disturbed permafrost-underlain watersheds across much of the Arctic, increasing the transfer of dissolved and particulate material from terrestrial to aquatic ecosystems. We examined the multiyear (2006–2017) impact of thermal and physical permafrost disturbances on all of the major components of fluvial flux. Thermal disturbances increased the flux of dissolved organic carbon (DOC), but localized physical disturbances decreased multiyear DOC flux. Physical disturbances increased major ion and suspended sediment flux, which remained elevated a decade after disturbance, and changed carbon export from a DOC to a particulate organic carbon (POC) dominated system. As the magnitude and frequency of physical permafrost disturbance intensifies in response to Arctic climate change, disturbances will become an increasingly important mechanism to deliver POC from terrestrial to aquatic ecosystems. Although nival runoff remained the primary hydrological driver, the importance of pluvial runoff as driver of fluvial flux increased following both thermal and physical permafrost disturbance. We conclude the transition from a nival-dominated fluvial regime to a regime where rainfall runoff is proportionately more important will be a likely tipping point to accelerated High Arctic change.
Short term association between air pollution (PM10, NO2 and O3) and secondary spontaneous pneumothorax
Authors: Marx Tania , Bernard Nadine , Parmentier Anne-Laure , Puyraveau Marc , Martin Berenger , Gantelet Madeleine , Pretalli Jean-Baptiste , Dalphin Jean-Charles , Mauny Frédéric , Desmettre Thibaut 
Published: July 2020

AbstractSecondary spontaneous pneumothorax (SSP) occurs in the context of underlying pulmonary disease. Our objectives were to estimate the relationship between SSP and short term air pollution exposure with nitrogen dioxide (NO2), ozone (O3) and particulate matter with a diameter ≤ 10 μm (PM10). Patients with SSP were included between June 1, 2009 and May 31, 2013, in 14 Emergency Departments in France. In this case–crossover design study, PM10,NO2, and O3data were collected hourly from monitoring stations. Quantitative values, fast increase in air pollutant concentration, and air quality threshold exceedance were retained. These assessments were calculated for each of the 4 days prior to the event (Lag 1–Lag 4) for all case and control period, and for the entire exposure period. A total of 135 patients with SSP were included, with a mean age of 55.56 (SD 18.54) years. For short term exposure of PM10, NO2and O3, no differences were observed between case and control periods in terms of quantitative values of air pollutant exposure (P > 0.68), fast increase in concentration (P > 0.12) or air quality threshold exceedance (P > 0.68). An association between O3exposures cannot be ruled out, especially when considering the Lag 2 prior to the event and in warm seasons.
Hydrogen–nitrogen plasma assisted synthesis of titanium dioxide with enhanced performance as anode for sodium ion batteries
Authors: Wang Hongmei , Xiong Jie , Cheng Xing , Chen Ge , Kups Thomas , Wang Dong , Schaaf Peter 
Published: July 2020

AbstractSodium ion batteries are considered as one of the most promising energy storage devices as lithium ion batteries due to the natural abundance of sodium. TiO2 is very popular as anode materials for both lithium and sodium ion batteries because of the nontoxicity, safety and great stabilities. However, the low electronic conductivities and inferior sodium ion diffusion make it becoming a great challenge to develop advanced TiO2 anodes. Doping heteroatoms and incorporation of defects are believed to be great ways to improve the electrochemical performance of TiO2 anodes. In this work, commercial TiO2 (P25) nanoparticles was modified by hydrogen and nitrogen high-power plasma resulting in a disordered surface layer formation and nitrogen doping as well. The electrochemical performances of the samples as anode materials for sodium ion batteries was measured and the results indicated that after the hydrogen–nitrogen plasma treatment, H–N-TiO2 electrode shows a 43.5% of capacity higher than the P-TiO2 after 400 cycles long-term discharge/charge process, and the samples show a good long cycling stability as well, the Coulombic efficiencies of all samples are nearly 99% after 50 cycles which could be sustained to the end of long cycling. In addition, hydrogen–nitrogen plasma treated TiO2 electrode reached the stable high Coulombic efficiency earlier than the pristine material. High resolution TEM images and XPS results indicate that there is a disordered surface layer formed after the plasma treatment, by which defects (oxygen vacancies) and N-doping are also introduced into the crystalline structure. All these contribute to the enhancement of the electrochemical performance.