bluuebunny/crossref_metadata_2025_split huggingface dataset:
Photoinduced Electrocatalysis on 3D Flexible OsOx Quantum Dots
Authors: Du Yuncheng , Xue Yurui , Zhang Chao , Liu Yuxin , Fang Yan , Xing Chengyu , He Feng , Li Yuliang 
Published: March 2021

AbstractSynthesizing active and durable catalysts for the hydrogen evolution reaction (HER) is of great significance for the development of a sustainable hydrogen economy. In this paper, an OsOx quantum dot loaded in 3D flexible graphdiyne is reported for photoelectrocatalysis, which shows greatly improved HER activity under light induction. The calculated and experimental results indicate graphdiyne (GDY) is not only used as the hole transfer layer to prevent hole–electron recombination, but can induce charge transfer for more high‐coordination osmium (Os4+). Upon exposure to a Xe lamp, OsOx QDs/GDY shows greatly enhanced catalytic activities and stabilities under alkaline conditions. Significantly, GDY can promote the good distribution and stability of metal oxide quantum dots. The fundamental advantage of the OsOx QDs/GDY catalyst is to promote hole transport and generate a large number of active sites and its superior photocurrent performance and photo/electrocatalytic activity. Simultaneously, due to the unique properties of the internal electronic structure of the GDY, the Mott‐Schottky effect is promoted efficiently and as a typical semiconductor catalyst, OsOx QDs/GDY shows unparalleled performance.
Who drives the digital revolution in agriculture? A review of supply‐side trends, players and challenges
Authors: Birner Regina , Daum Thomas , Pray Carl 
Published: March 2021

AbstractDigital agriculture offers far‐reaching opportunities for accelerating agricultural transformation. Based on empirical evidence and guided by economic theory, this study shows that digital agriculture is driven by private firms, including established input firms and global software firms and start‐ups that are new to agriculture. Although there are concerns that digital agriculture will enhance the market power of large agribusiness enterprises and increase the digital divide, a combination of new actors and public action can help accelerate the supply of digital agricultural technology, manage threats of market concentration, and harness the opportunities of digital agriculture for all.
Revisiting metric sex estimation of burnt human remains via supervised learning using a reference collection of modern identified cremated individuals (Knoxville, USA)
Authors: Hlad Marta , Veselka Barbara , Steadman Dawnie Wolfe , Herregods Baptiste , Elskens Marc , Annaert Rica , Boudin Mathieu , Capuzzo Giacomo , Dalle Sarah , De Mulder Guy , Sabaux Charlotte , Salesse Kevin , Sengeløv Amanda , Stamataki Elisavet , Vercauteren Martine , Warmenbol Eugène , Tys Dries , Snoeck Christophe 
Published: March 2021

AbstractObjectivesThis study aims to increase the rate of correctly sexed calcined individuals from archaeological and forensic contexts. This is achieved by evaluating sexual dimorphism of commonly used and new skeletal elements via uni‐ and multi‐variate metric trait analyses.Materials and methodsTwenty‐two skeletal traits were evaluated in 86 individuals from the William M. Bass donated cremated collection of known sex and age‐at‐death. Four different predictive models, logistic regression, random forest, neural network, and calculation of population specific cut‐off points, were used to determine the classification accuracy (CA) of each feature and several combinations thereof.ResultsAn overall CA of ≥ 80% was obtained for 12 out of 22 features (humerus trochlea max., and lunate length, humerus head vertical diameter, humerus head transverse diameter, radius head max., femur head vertical diameter, patella width, patella thickness, and talus trochlea length) using univariate analysis. Multivariate analysis showed an increase of CA (≥ 95%) for certain combinations and models (e.g., humerus trochlea max. and patella thickness). Our study shows metric sexual dimorphism to be well preserved in calcined human remains, despite the changes that occur during burning.ConclusionsOur study demonstrated the potential of machine learning approaches, such as neural networks, for multivariate analyses. Using these statistical methods improves the rate of correct sex estimations in calcined human remains and can be applied to highly fragmented unburnt individuals from both archaeological and forensic contexts.
Alcohol Dehydrogenases and N‐Heterocyclic Carbene Gold(I) Catalysts: Design of a Chemoenzymatic Cascade towards Optically Active β,β‐Disubstituted Allylic Alcohols
Authors: González‐Granda Sergio , Lavandera Iván , Gotor‐Fernández Vicente 
Published: March 2021

AbstractThe combination of gold(I) and enzyme catalysis is used in a two‐step approach, including Meyer–Schuster rearrangement of a series of readily available propargylic alcohols followed by stereoselective bioreduction of the corresponding allylic ketone intermediates, to provide optically pure β,β‐disubstituted allylic alcohols. This cascade involves a gold N‐heterocyclic carbene and an enzyme, demonstrating the compatibility of both catalyst types in aqueous medium under mild reaction conditions. The combination of [1,3‐bis(2,6‐diisopropylphenyl)imidazol‐2‐ylidene][bis(trifluoromethanesulfonyl)‐imide]gold(I) (IPrAuNTf2) and a selective alcohol dehydrogenase (ADH‐A from Rhodococcus ruber, KRED‐P1‐A12 or KRED‐P3‐G09) led to the synthesis of a series of optically active (E)‐4‐arylpent‐3‐en‐2‐ols in good yields (65–86 %). The approach was also extended to various 2‐hetarylpent‐3‐yn‐2‐ol, hexynol, and butynol derivatives. The use of alcohol dehydrogenases of opposite selectivity led to the production of both allyl alcohol enantiomers (93‐>99 % ee) for a broad panel of substrates.
carba Nicotinamide Adenine Dinucleotide Phosphate: Robust Cofactor for Redox Biocatalysis
Authors: Zachos Ioannis , Döring Manuel , Tafertshofer Georg , Simon Robert C. , Sieber Volker 
Published: March 2021

AbstractHere we report a new robust nicotinamide dinucleotide phosphate cofactor analog (carba‐NADP+) and its acceptance by many enzymes in the class of oxidoreductases. Replacing one ribose oxygen with a methylene group of the natural NADP+ was found to enhance stability dramatically. Decomposition experiments at moderate and high temperatures with the cofactors showed a drastic increase in half‐life time at elevated temperatures since it significantly disfavors hydrolysis of the pyridinium‐N−glycoside bond. Overall, more than 27 different oxidoreductases were successfully tested, and a thorough analytical characterization and comparison is given. The cofactor carba‐NADP+ opens up the field of redox‐biocatalysis under harsh conditions.
The effect of adding devulcanized rubber on the thermomechanical properties of recycled polypropylene
Authors: Garcia Pamela Sierra , de Lima Juliana Aristéia , Scuracchio Carlos Henrique , Cruz Sandra Andrea 
Published: March 2021

AbstractThis work aims to investigate the effect of adding vulcanized or partially devulcanized rubbers on recycled polypropylene (PPr), considering thermomechanical and morphological properties. The study proposes to better understand how structural changes underwent by rubber (after the devulcanization) contributed to improving the mechanical properties of the PPr. The PPr/rubber blends were prepared by a co‐rotating twin‐screw extruder and then were injected. The blends composed of the most devulcanized rubbers by microwaves with refined microstructure showed higher values of elongation at break and toughness. Data showed that the devulcanization process applied to the rubber interfered positively in its adhesion to the PPr. Data from dynamic mechanical analysis and atomic force microscopy indicated that the most devulcanized rubbers presented an interface more connected to PPr. These chemical interactions possibly impacted the mechanical properties of the PPr. Moreover, dilatation processes favored the fracture mechanisms of the PPr when rubber was added to it.
Chain dynamics evolution of ethylene‐propylene‐diene monomer in response to hot humid and salt fog environment
Authors: Yue Tongkui , Liu Peilei , Zhao Hengheng , Li Sai , Zhang Liqun , Liu Jun 
Published: March 2021

AbstractThis work is dedicated to the mechanism underlying the influence of the harsh environment that may cause accelerated aging (high temperature, humidity, and salt spray) on the static and dynamics characteristics of ethylene‐propylene‐diene monomer (EPDM) copolymer. A molecular dynamics simulation was employed to provide an insight into the effects of the hot humid and salt fog environment on the micro and macroscopic properties. First, evidence shows that theTgobtained by fitting mean square displacement does not rely on the selection of the equilibrium time. Second, radial distribution function, chain configuration, and nonbonding interaction were analyzed and it is inferred that the ambient humidity and temperature show a significant synergy on the EPDM system, which is attributed to the aggregation state transition and diffusion behavior of partial water at high temperatures. Finally, water and salt were considered as two factors to explore the influence on theTgand the mobility of the molecular chain. It is concluded that the existence of water molecules significantly affects the chain dynamic behavior of EPDM, while salt is not regarded as an influencing factor. In general, our simulated work provides some insights and guidance for the durability of EPDM when used in harsh environments.
Microbial ecology in selenate‐reducing biofilm communities: Rare biosphere and their interactions with abundant phylotypes
Authors: Esquivel‐Hernández Diego A. , García‐Pérez Jonathan S. , Xu Xiaoyin , Metha Sanya , Maldonado Juan , Xia Siqing , Zhao He‐Ping , Rittmann Bruce E. , Ontiveros‐Valencia Aura 
Published: March 2021

AbstractSelenate (SeO42−) reduction in hydrogen (H2)‐fed membrane biofilm reactors (H2‐MBfRs) was studied in combinations with other common electron acceptors. We employed H2‐MBfRs with two distinctly different conditions: R1, with ample electron‐donor availability and acceptors SeO42− and sulfate (SO42−), and R2, with electron‐donor limitation and the presence of electron acceptors SeO42−, nitrate (NO3−), and SO42−. Even though H2 was available to reduce all input SeO42− and SO42− in R1, SeO42− reduction was preferred over SO42− reduction. In R2, co‐reduction of NO3− and SeO42− occurred, and SO42− reduction was mostly suppressed. Biofilms in all MBfRs had high microbial diversity that was influenced by the “rare biosphere” (RB), phylotypes with relative abundance less than 1%. While all MBfR biofilms had abundant members, such as Dechloromonas and Methyloversatilis, the bacterial communities were significantly different between R1 and R2. For R1, abundant genera were Methyloversatilis, Melioribacter, and Propionivibrio; for R2, abundant genera were Dechloromonas, Hydrogenophaga, Cystobacter, Methyloversatilis, and Thauera. Although changes in electron‐acceptor or ‐donor loading altered the phylogenetic structure of the microbial communities, the biofilm communities were resilient in terms of SeO42− and NO3− reductions, because interacting members of the RB had the capacity of respiring these electron acceptors.
Ethnopharmacology, Biological Activity and Phytochemistry of Scaevola spinescens
Authors: Nguyen Kien Q. , Scarlett Christopher J. , Vuong Quan V. 
Published: March 2021

AbstractScaevola spinescens is endemic to Australia and has traditionally been used by Aboriginal and Torres Strait Islander communities to treat a variety of conditions including colds, flu, fever, stomach pain, urinary disorders, sores, tinea, leprosy, and cancer. Extracts prepared from S. spinescens are non‐toxic and have been linked with various medicinal properties including antiviral, antibacterial, anti‐inflammatory, and anticancer activities. These studies support the ethnopharmacological use of S. spinescens by Indigenous peoples of Australia and highlight the need for further investigations on the plant for potential use in pharmaceutical and food applications. This review provides a comprehensive, up‐to‐date review of the literature on S. spinescens focusing on the traditional use, medicinal properties, phytochemicals, and factors that affect their composition during pre‐treatment and extraction, as well as providing a framework for future studies of the plant.
Comparing Catalysts of the Direct Synthesis of Hydrogen Peroxide in Organic Solvent: is the Measure of the Product an Issue?
Authors: Sandri Francesco , Danieli Mattia , Zecca Marco , Centomo Paolo 
Published: March 2021

AbstractThe direct synthesis of hydrogen peroxide has been for about 20 years a hot topic in “green” catalysis. Several methods, which are well established to measure the concentration of hydrogen peroxide in water are also applied to the analysis of reaction mixtures from the direct synthesis of H2O2. However, this step could not be always straightforward, because these mixtures contain almost invariably organic solvents and, sometimes, selectivity enhancers which can interfere in some, at the least, of the most popular titrimetric methods. This work presents a comparative investigation of iodometry, cerimetry, permanganometry (titrimetric methods) and spectrophotometric analysis of TiIV/H2O2 adduct, as applied to analysis of hydrogen peroxide produced by its direct synthesis. They account for more than 90 % of the competent literature since 2000. Their pros and cons are highlighted to provide a guideline for the choice of the best possible method of analysis and for the comparison of catalytic results assessed in different ways in the context of the direct synthesis of hydrogen peroxide.
Digital Image Processing of Gas‐Liquid Reactions in Coiled Capillaries
Authors: Grühn Julia , Vogel Marius , Kockmann Norbert 
Published: March 2021

AbstractIn the course of the investigation of biocatalytic gas‐liquid reactions with color change in straight and coiled capillaries, a non‐invasive evaluation method is needed to determine reaction progress and selectivity. Correlations between hydrodynamics, mass transfer phenomena, and reaction kinetics are in the focus of our work. For this purpose, it is necessary to investigate the flow and evaluate the reaction progress without disturbing the flow. Digital image processing (DIP) is presented as a suitable optical evaluation method for reactions with color change in capillary reactor designs. The developed DIP program is independent from the capillary reactor design, applicable to differently colored systems, and can analyze up to three different species simultaneously.
Ozonation of phenol and substituted phenols: Dependency of the reaction rate constant on the molecular structure
Authors: Bhosale Ghanshyam S. , Vaidya Prakash D. , Gogate Parag R. , Joshi Jyeshtharaj B. , Patil Raosaheb N. 
Published: March 2021

AbstractOzonation is a prospective method for the treatment of phenol‐contaminated wastewaters. In the present work, the reaction of ozone with 10 different substituted phenols was studied at acidic pH in two model gas–liquid contactors to investigate the dependency of the ozonation rate constant on the molecular structure of the phenolic compound. While three phenols were attached to electron‐donating functional groups, seven were characterized by the presence of electron‐accepting groups in their structure. In a stirred cell reactor (with flat‐cell interface) and mechanically agitated contactor, reaction kinetics for these two types of phenols were studied in the fast pseudo‐first order and chemical reaction controlled regime, correspondingly at T = 30°C. The effect of the electron‐donating or electron‐accepting functional group attached to the phenolic ring on the reactivity was studied and the linear dependence of the relative oxidation rate constant (with respect to phenol) on the Hammett substituent constant was proven in a Hammett plot. The values of susceptibility factor for the Hammett plots of phenols with electron‐donating and electron‐accepting substituents were −7.89 and −1.25, respectively. This work is useful to establish the ozonation pathway and predict the reaction rate constant from the molecular structure of the phenolic compound.
Experimental and CFD study of sodium alginate droplets impacting onto immiscible deep liquid surface
Authors: Chen Chengmin , Ding Zhizhong , Tiwari Shashank S. , Wang Jianmei , Wang Jianchun , Liu Guangxia , Li Yan , Guo Meng , Nandakumar Krishnaswamy 
Published: March 2021

AbstractIn the present study, the impingement process of alginate droplet on an immiscible liquid is investigated using experimental and numerical approaches. The results reveal that the intensity of interaction between the two immiscible liquids leads to formation of different droplet shapes after impingement. The droplet yield stress, Ohnesorge number (Oh), and Weber number (We) were found to be the chief parameters which determine the droplet shape after impingement. Three discernible shapes of droplets could be identified from the present investigation: (i) spherical ball, (ii) spherical ball with a tail, and (iii) a toroidal shape. A detailed parameter regime map has been constructed which aids in identifying these three droplet shapes in well‐defined range of Oh and We. Besides, the numerical investigations carried out also helped in deciphering the temporal evolution of the pressure, velocity and kinetic energy fields associated with the drop impingement process.
Lattice Boltzmann phase field simulations of droplet slicing
Authors: Lu Zeying , Liu Fengjiao , Liu Xijian , Zhang Lijuan , Yuan Haikuan , Lu Jie , Derksen Jos J. 
Published: March 2021

AbstractWe have performed two‐ and three‐dimensional phase field simulations using the lattice‐Boltzmann method of liquid drops rising through a continuous phase liquid under the influence of buoyancy. In their upward motion, the drops encounter a knife that is placed with the purpose of slicing the drops in two. A range of scenarios has been observed when the drop hits the knife and it has been investigated how the type of scenario depends on the dimensionless parameters governing the motion and slicing of the drop: the Eötvös number, the Morton number, and the ratio of the droplet size and the width of the knife. We studied symmetric and asymmetric encounters between drop and knife and kept track of the size distribution of the resulting fragments.
Observed‐to‐expected incidence ratios of second malignant neoplasms after radiation therapy for medulloblastoma: A Surveillance, Epidemiology, and End Results analysis
Authors: Nantavithya Chonnipa , Paulino Arnold C. , Liao Kaiping , Woodhouse Kristina D. , McGovern Susan L. , Grosshans David R. , McAleer Mary F. , Khatua Soumen , Chintagumpala Murali M. , Majd Nazanin , Zaky Wafik , Yeboa Debra N. 
Published: March 2021

BACKGROUNDThe authors analyzed the incidence and types of second malignant neoplasms (SMNs) in patients treated for medulloblastoma.METHODSThe authors compared the incidence of SMNs after radiotherapy (RT) for medulloblastoma in patients treated in 1973‐2014 with the incidence in the general population with the multiple primary–standardized incidence ratio function of Surveillance, Epidemiology, and End Results 9. Observed‐to‐expected incidence (O/E) ratios and 95% confidence intervals (CIs) were reported for the entire cohort and by disease site according to age at diagnosis, treatment era, and receipt of chemotherapy. P values < .05 were considered statistically significant.RESULTSOf the 1294 patients with medulloblastoma who received RT, 68 developed 75 SMNs. The O/E ratio for SMNs among all patients was 4.49 (95% CI, 3.53‐5.62; P < .05). The site at highest risk was the central nervous system (CNS; O/E, 40.62; 95% CI, 25.46‐61.51), which was followed by the endocrine system (O/E, 15.95; 95% CI, 9.12‐25.91), bone (O/E, 14.45; 95% CI, 1.75‐52.21), soft tissues (O/E, 9.01; 95% CI, 1.09‐32.56), the digestive system (O/E, 5.03; 95% CI, 2.51‐9.00), and the lymphatic/hematopoietic system (O/E, 3.37; 95% CI, 1.35‐6.94). The O/E ratio was higher for patients given chemotherapy and RT (O/E, 5.52; 95% CI, 3.75‐7.83) than for those given RT only (O/E, 3.96; 95% CI, 2.88‐5.32).CONCLUSIONSPatients with medulloblastoma are at elevated risk for SMNs in comparison with the general population. Variations in O/E for SMNs by organ systems were found for treatment modality, age at diagnosis, and time of diagnosis. The most common site, the CNS, was involved more often in younger patients and those given chemotherapy with RT.
Cytoarchitecture and innervation of the mouse cochlear amplifier revealed by large‐scale volume electron microscopy
Authors: Wang Haoyu , Wang Shengxiong , Lu Yan , Chen Ying , Huang Wenqing , Qiu Miaoxin , Wu Hao , Hua Yunfeng 
Published: March 2021

AbstractIn mammalian cochlea, sound‐induced vibration is amplified by a three‐row lattice of Y‐shaped microstructures consisting of electromotile outer hair cell and supporting Deiters cell. This highly organized structure is thought to be essential for hearing of low‐level sounds. Prior studies reported differences in geometry and synaptic innervation of the outer hair cells between rows, but how these fine features are achieved at subcellular level still remains unclear. Using serial block‐face electron microscopy, we acquired few‐hundred‐micron‐sized cytoarchitecture of mouse organ of Corti at nanometer resolution. Structural quantifications were performed on the Y‐shapes as well as afferent and efferent projections to outer hair cells (OHCs). Several new features, which support the previously observed inter‐row heterogeneity, are described. Our result provides structural bases for the gradient of mechanical properties and diverse centrifugal regulation of OHC rows.
Neurogenesis and the development of neural sex differences in vocal control regions of songbirds
Authors: Diez Adriana , An Ha Yun , Carfagnini Nicole , Bottini Claire , MacDougall‐Shackleton Scott A. 
Published: March 2021

AbstractThe brain regions that control the learning and production of song and other learned vocalizations in songbirds exhibit some of the largest sex differences in the brain known in vertebrates and are associated with sex differences in singing behavior. Song learning takes place through multiple stages: an early sensory phase when song models are memorized, followed by a sensorimotor phase in which auditory feedback is used to modify song output through subsong, plastic song, to adult crystalized song. However, how patterns of neurogenesis in these brain regions change through these learning stages, and differ between the sexes, is little explored. We collected brains from 63 young male and female zebra finches (Taeniopygia guttata) over four stages of song learning. Using neurogenesis markers for cell division (proliferating cell nuclear antigen), neuron migration (doublecortin), and mature neurons (neuron‐specific nuclear protein), we demonstrate that there are sex‐specific changes in neurogenesis over song development that differ between the caudal motor pathway and anterior forebrain pathway of the vocal control circuit. In many of these regions, sex differences emerged very early in development, by 25 days post hatch, at the beginning of song learning. The emergence of sex differences in other components of the system was more gradual and had specific trajectories depending on the brain region and its function. In conclusion, we found that sex differences occurred early and continued during song learning. Moreover, transitions from the different phases of song development do not seem to depend on large changes in neurogenesis in the vocal control areas measured.