bluuebunny/crossref_metadata_2025_split huggingface dataset:
Low‐Frequency Current Fluctuations in Quasi‐1D (TaSe4)2I Weyl Semimetal Nanoribbons
Authors: Ghosh Subhajit , Kargar Fariborz , Sesing Nick R. , Barani Zahra , Salguero Tina T. , Yan Dong , Rumyantsev Sergey , Balandin Alexander A. 
Published: November 2022

AbstractLow‐frequency current fluctuations, i.e., electronic noise, in quasi‐1D (TaSe4)2I Weyl semimetal nanoribbons are discussed. It is found that the noise spectral density is of the 1/f type and scales with the square of the current, SI ~ I2 (f is the frequency). The noise spectral density increases by almost an order of magnitude and develops Lorentzian features near the temperature T ≈ 225 K. These spectral changes are attributed to the charge‐density‐wave phase transition even though the temperature of the noise maximum deviates from the reported Peierls transition temperature in bulk (TaSe4)2I crystals. The noise level, normalized by the channel area, in these Weyl semimetal nanoribbons is surprisingly low, ≈10−9 µm2 Hz−1 at f = 10 Hz, when measured below and above the Peierls transition temperature. The obtained results shed light on the specifics of electron transport in quasi‐1D topological Weyl semimetals and can be important for their proposed applications as downscaled interconnects.
Graph machine learning for design of high‐octane fuels
Authors: Rittig Jan G. , Ritzert Martin , Schweidtmann Artur M. , Winkler Stefanie , Weber Jana M. , Morsch Philipp , Heufer Karl Alexander , Grohe Martin , Mitsos Alexander , Dahmen Manuel 
Published: November 2022

AbstractFuels with high‐knock resistance enable modern spark‐ignition engines to achieve high efficiency and thus low CO2 emissions. Identification of molecules with desired autoignition properties indicated by a high research octane number and a high octane sensitivity is therefore of great practical relevance and can be supported by computer‐aided molecular design (CAMD). Recent developments in the field of graph machine learning (graph‐ML) provide novel, promising tools for CAMD. We propose a modular graph‐ML CAMD framework that integrates generative graph‐ML models with graph neural networks and optimization, enabling the design of molecules with desired ignition properties in a continuous molecular space. In particular, we explore the potential of Bayesian optimization and genetic algorithms in combination with generative graph‐ML models. The graph‐ML CAMD framework successfully identifies well‐established high‐octane components. It also suggests new candidates, one of which we experimentally investigate and use to illustrate the need for further autoignition training data.
Flowers that self‐shade reduce heat stress and pollen limitation
Authors: Karban Richard , Rutkowski Danielle , Murray Naomi A. 
Published: November 2022

AbstractPremisePlants are facing increased risk of heat stress with global climate change. Reproductive tissues are particularly heat‐sensitive, which can result in lower plant fitness. Floral shading and closure are possible mechanisms to limit heat stress although most previous work on petal orientation has considered adaptations to raise temperatures. We hypothesized that floral shading could reduce temperature and increase reproductive success.MethodsWe measured floral temperatures of four species that exhibited intraspecific variation in flower closure (Opuntia ficus‐indica, Oenothera elata, Convolvulus arvensis, and Romneya coulteri). We also wired newly opened R. coulteri flowers so that they were either permanently open or permanently closed; controls were not wired.ResultsIndividual flowers of all four species that shaded their pistils were exposed to temperatures 3–8°C lower than those that remained open and unshaded. In our wiring experiment, unencumbered R. coulteri controls were 40% more likely to produce seeds than flowers that were either permanently open or closed. Without added pollen, control flowers produced 2× more seeds than flowers wired open and 8× more than those wired closed. However, pollen addition eliminated the effects of wiring and increased capsule mass and seed production. This effect of pollen addition suggests that pollen limitation was responsible for observed differences in the wiring treatments. Pollinators may prefer control flowers over those that were wired open or closed; petal shading may make flowers cooler and more attractive to pollinators.ConclusionsPetal shading may be a behavior that allows flowers to reduce heat stress and increases their chances of pollination and seed set.
SOX3 duplication in a boy with 46,XX ovotesticular disorder of sex development and his 46,XX sister with atypical genitalia: Probable germline mosaicism
Authors: de Oliveira Flávia Marcorin , Barros Beatriz Amstalden , dos Santos Ana Paula , Campos Nilma Lúcia Viguetti , Mazzola Taís Nitsch , Filho Paulo Latuf , Andrade Liliana Aparecida Lucci De Angelo , Guaragna Mara Sanches , de Mello Maricilda Palandi , Guerra‐Junior Gil , Vieira Társis Antonio Paiva , Maciel‐Guerra Andréa Trevas 
Published: November 2022

AbstractOvotesticular disorders of sex development (OT‐DSD) are characterized by ovarian follicles and seminiferous tubules in the same individual, with a wide range of atypical genitalia. We report on two sibs with atypical genitalia and SRY‐negative 46,XX DSD, OT‐DSD was confirmed only in the boy, while the girl had bilateral ovaries. Chromosome microarray analysis (CMA) showed a 737‐kb duplication at Xq27.1 including the entire SOX3 gene in both sibs, which was confirmed by quantitative real time PCR. Also, X chromosome inactivation assay showed random inactivation in both sibs. Whole exome sequencing revealed no pathogenic or likely pathogenic variant. CMA of the parents showed normal results for both, suggesting that germline mosaicism could be the reason of recurrence of this duplication in the siblings. Our results support a pathogenic role of SOX3 overexpression in 46,XX subjects leading to variable DSD phenotypes.
Synthesis of 2‐(Oxindol‐3‐yl)acetamides via Visible‐light‐mediated Oxidative Carbamoylation of N‐arylacrylamides
Authors: Liu Yihuo , Xu Jinli , Fu Xudong , Xu Mingli , Li Xiaonian , Cheng Dongping , Xu Xiaoliang 
Published: November 2022

AbstractUnder metal free condition, an efficient and mild cascade reaction of N‐arylacrylamides with hydrazinecarboxamides is disclosed. Catalyzed by Rose Bengal, it undergoes oxidative dehydrazination, radical addition, and subsequent 5‐exo‐trig cyclization in the presence of visible light. A series of 2‐(oxindol‐3‐yl)acetamides are obtained in moderate to excellent yields, which could be utilized as precursors in the synthesis of bioactive pyrrolidinoindolines.
Barrier and mechanical properties of biodegradable paper bilayer‐coated with plasticized starch and zein
Authors: Hamdani Syeda Shamila , Li Zhao , Rolland Emily , Mohiuddin Mohammad , Rabnawaz Muhammad 
Published: November 2022

AbstractHerein we report the development of bilayer‐coated‐paper with corn starch as the bottom layer and zein protein as the top layer. Two different methods were used for preparation of the coated paper, namely rod‐coating and dip‐coating techniques. The effect of the coating methods was studied by investigating the mechanical and barrier properties of the coated paper. A significant decrease of the water vapor and oxygen transmission rates at various temperatures and relative humidity conditions was observed. Considering the growing need for renewable and biodegradable alternatives to conventional plastics, the coated paper described herein may have strong potential for applications in the food packaging sector.
Mechanism and Origins of Diastereo‐ and Regioselectivities of Palladium‐Catalyzed Remote Diborylative Cyclization of Dienes via Chain‐Walking Strategy
Authors: Kong Shuqi , Zhang Mengyao , Wang Shiyu , Wu Hongli , Zou Hongyan , Huang Genping 
Published: November 2022

AbstractDensity functional theory calculations have been performed to investigate the palladium‐catalyzed remote diborylative cyclization of dienes. The computations reveal that the reaction proceeds through a rarely explored Pd(II)/Pd(IV) catalytic cycle, and the formal σ‐bond metathesis between the alkylpalladium intermediate and B2pin2occurs via the pathway of the B−B oxidative addition/C−B reductive elimination involving the high‐valent Pd(IV) species. The diastereoselectivity is determined by the migratory insertion into the Pd−C bond, which is mainly due to the combination of the torsional strain effect, steric repulsion and C−H—O hydrogen‐bonding interaction. The steric hindrance around the reacting carbon group in the C−B reductive elimination turns out to be a key factor to provide the driving force of the chain walking of the Pd center to the terminal primary carbon position, enabling the experimentally observed remote regioselectivity.
The relationship between camouflaging and mental health in autistic children and adolescents
Authors: Ross Alice , Grove Rachel , McAloon John 
Published: November 2022

AbstractCamouflaging involves the masking of autistic traits in social situations. While camouflaging may function as a potential barrier to the early diagnosis of autism, minimal research into camouflaging in autistic young people has been conducted. It is also important to evaluate the impact of camouflaging on the mental health of autistic children and adolescents. This study evaluated camouflaging in a sample of 359 female and 374 male autistic children and adolescents (4–17 years, 48.9% females). Findings indicated that camouflaging was a significant predictor of internalizing (i.e., anxiety, depression, somatic complaints) symptoms, when controlling for age, gender, and IQ. We also found evidence for some gender differences in camouflaging. Parents endorsed more autistic traits for females compared with males, whereas there were no differences in autistic traits across sex in the clinician‐administered assessment. There was also evidence for a relationship between age and camouflaging, with adolescents showing a larger discrepancy between parent and clinician reported autistic traits. This has implications for clinical assessment and future research and is important for understanding how best to support the mental health of autistic children and adolescents.
Nanotechnology as a vital science in accelerating biofuel production, a boon or bane
Authors: Sharma Yashaswi , Manro Bahaar , Thakur Pooja , Khera Alisha , Dey Piyush , Gupta Dikshi , Khajuria Akhil , Jaiswal Pradeep Kumar , Barnwal Ravi Pratap , Singh Gurpal 
Published: November 2022

AbstractIn a world where fossil fuels are running out, biofuels are one of the best green energy alternatives to fuels made from petroleum due to their environmentally beneficial qualities and low cost in comparison with non‐renewable fossil fuels. Biofuels are produced from cheap and renewable sources and the energy stored in these biomasses can be assimilated to create sustainable electricity or heat, which can then be exploited to meet current and future societal needs in numerous situations. However, the production of biofuels on an industrial scale takes a lot of time because of the numerous constraints placed on currently available technology and the increased costs that go along with them. Moreover, the processes utilized to transform various feedstocks into the desired output also vary based on the materials and techniques employed. The supply of biofuel feedstocks is large, and with improved processing, we could significantly lower our reliance on fossil fuels. In this context, the use of nanoparticles (NPs) is a commendable solution to the present problems with biomass use, especially given their low cost. The unique qualities of nanomaterials, such as excellent catalytic properties, high surface area‐to‐volume ratio, remarkable selectivity, and reusability make them admirable tools for boosting biofuel generation. This review predominantly focuses on the contributions of nanotechnology and various immobilization methodologies in accelerating biofuel production from biomasses that might fill in the research gap, which was previously limited by the relatively lower efficiency of traditional techniques of biofuel generation. © 2022 Society of Chemical Industry and John Wiley & Sons, Ltd.
Toxicokinetics in preclinical drug development of small‐molecule new chemical entities
Authors: Li Wenkui , Picard Franck 
Published: November 2022

AbstractToxicokinetics (TK) is an integral part of nonclinical (preclinical) safety assessment of small‐molecule new chemical entities in drug development. It is employed to describe the systemic exposure of a drug candidate and/or its important metabolite(s) achieved in study animals and elucidate the relationship (proportional, over‐proportional, or under‐proportional) between systemic exposure and dose administered and the associated differences/similarities between male and female animals along with the possible accumulation/induction. TK data and the derived parameters are employed to propose safe starting doses for clinical use of the new drug candidate through proper extrapolation of findings in study animals to humans. This review has attempted to highlight the health authority expectations on TK assessment in supporting preclinical safety profiling of new chemical entities. A robust TK assessment requires good understanding of absorption, distribution, metabolism, and elimination processes of drug candidate, adequate TK sampling (e.g., controls where relevant), implementation of fit‐for‐purpose bioanalytical methods (validated or scientifically qualified) along with necessary measures to prevent mis‐dosing or ex vivo contamination, and establishment of stability of the drug candidate and/or its metabolite(s) in the intended species matrix to ensure the reliability of bioanalytical and TK data. The latter provides a vital link between animal experiments and human safety.
Heat‐killed Lactobacillus murinus confers neuroprotection against dopamine neuronal loss by targeting NLRP3 inflammasome
Authors: Fan Hong‐Xia , Sheng Shuo , Li Dai‐Di , Li Jing‐Jie , Wang Guo‐Qing , Zhang Feng 
Published: November 2022

AbstractThe intestinal flora has become very active in studies related to Parkinson's disease (PD) in recent years. The microbe‐gut‐brain axis is closely related to the maintenance of brain homeostasis as well as PD pathogenesis. Alterations in gut bacteria can contribute to neuroinflammation and dopamine (DA) neurodegeneration. Lactobacillus murinus, a gram‐positive bacterium, is a commensal gut bacteria present in the mammalian gut and considered as a potential probiotic due to its beneficial effects, including anti‐inflammatory and antibacterial actions. In this study, the effects of live L. murinus and heat‐killed L. murinus on DA neuronal damage in rats and the underlying mechanisms were investigated. Data showed that heat‐killed L. murinus ameliorated 6‐hydroxydopamine‐induced motor dysfunctions and loss of substantia nigra DA neurons, while no protection was shown in live L. murinus treatment. At the same time, heat‐killed L. murinus reduced the activation of NLRP3 inflammasome in microglia and the secretion of pro‐inflammatory factors, thus inhibiting the development of neuroinflammation. Furthermore, heat‐killed L. murinus failed to display its original neuroprotective properties in NLRP3 inflammasome knockout mice. Together, heat‐killed L. murinus conferred neuroprotection against DA neuronal loss via the inhibition of microglial NLRP3 inflammasome activation. These findings provide a promising potential for future applications of L. murinus, and also beneficial strategy for PD treatment.
Cingulate sulcus morphology and paracingulate sulcus variations: Anatomical and radiological studies
Authors: Selahi Özge , Kuru Bektaşoğlu Pınar , Hakan Tayfun , Firat Zeynep , Güngör Abuzer , Çelikoğlu Erhan 
Published: November 2022

AbstractThe sulci and gyri found across the cerebrum differ in morphology between individuals. The cingulate sulcus is an important landmark for deciding the surgical approach for neighboring pathological lesions. Identifying the anatomical variations of anterior cingulate cortex morphology would help to determine the safe‐entry route through neighboring lesions. In this study, magnetic resonance imaging data acquired from 149 healthy volunteers were investigated retrospectively for anatomical variations of the paracingulate sulcus. Also, human cadaveric brain hemispheres were investigated for cingulate and paracingulate sulcus anatomy. All participants had cingulate sulci in both hemispheres (n = 149, 100%). Three types of paracingulate sulcus patterns were identified: “prominent,” “present,” and “absent.” Hemispheric comparisons indicated that the paracingulate sulcus is commonly “prominent” in the left hemisphere (n = 48, 32.21%) and more commonly “absent” in the right hemisphere (n = 73, 48.99%). Ten (6.71%) people had a prominent paracingulate sulcus in both the right and left hemispheres. Seven (4.70%) of them were male, and 3 (2.01%) of them were female. Paracingulate sulci were present in both hemispheres in 19 people (12.75%), of which 9 (6.04%) were male and 10 (6.71%) were female. There were 35 (23.49%) participants without paracingulate sulci in both hemispheres. Eleven (7.38%) were male and 24 (16.11%) were female. There were 73 (48.99%) participants without right paracingulate sulcus and 57 (38.26%) participants without left paracingulate sulcus (p = 0.019). In the examinations of the cadaver hemispheres, the paracingulate sulcus was present and prominent in 25%, and the intralimbic sulcus was present in 15%. It has been observed that the paracingulate sulcus is more prominent in the normal male brain compared to females. In females, there were more participants without paracingulate sulcus. This study shows that there are both hemispheric and sex differences in the anatomy of the paracingulate sulcus. Understanding the cingulate sulcus anatomy and considering the variations in the anterior cingulate cortex morphology during surgery will help surgeons to orient this elegant and complex area.
Unveiling the impact of durum wheat protein quantity and quality on textural properties and microstructure of cooked pasta
Authors: Wang Kun , Pozniak Curtis J. , Ruan Yuefeng , Fu Bin Xiao 
Published: November 2022

AbstractBackground and ObjectivesThis study investigated the impact of protein quantity and gluten strength on mechanical properties and microstructure of cooked pasta using texture analyzer and scanning electron microscopy. Three Canadian durum varieties with wide range of gluten strength at four protein levels were selected.FindingsFour distinct microstructures were characterized for cooked pasta. Pasta with firm texture exhibited compact and dense protein networks, while that with soft texture showed open, coarse, and heterogeneous structures. Protein content was the dominant factor in determining pasta firmness, the impact of gluten strength on pasta texture depends on protein content and cooking time. Greater impact from gluten strength was observed when pasta was overcooked.ConclusionsThe relative contribution of protein quantity and quality in cooked pasta texture depends upon the ranges of protein content, gluten strength, and degree of cooking.Significance and NoveltyThis study unveiled the impact of wheat protein content and gluten strength on textural and microstructural properties of pasta at three cooking times. Results generated from this study provide guidance for durum breeding programs, durum milling, and pasta processing industry in setting protein content and gluten strength targets to ensure pasta quality.
Modified Graphene Oxide/Polyvinyl Chloride Membranes for Wastewater Treatment
Authors: Ghasemzadeh Fariba , Kazerouni Haleh Nourizadeh , Adelinia Hadi , Jafarzadeh Yoones , Hazrati Hossein 
Published: November 2022

AbstractGraphene oxide (GO) was modified by citric acid (CA) and embedded into polyvinyl chloride (PVC) membranes. The PVC/GO‐CA (0.15 wt %) membrane showed the best hydrophilicity, porosity, and tensile strength. The results of membranes' performance in a membrane bioreactor (MBR) system demonstrated that the critical flux had a noticeable improvement after adding 0.15 wt % GO‐CA. Also, the irreversible fouling ratio of PVC/GO‐CA membranes was lower than that of the neat PVC membrane, indicating an improvement in antifouling properties of the nanocomposite membrane. Moreover, the soluble microbial product (SMP) and the extracellular polymeric substance (EPS) of the cake layer reduced for the PVC/GO‐CA (0.15 wt %) membrane because of its higher hydrophilicity and better antifouling behavior.
Effects of guide holes on the performance of a vertical turbo air classifier
Authors: Yu Yuan , Cao Yingni , Zhang Yu , Fu Junjie , Liu Jiaxiang 
Published: November 2022

AbstractThe wide usage of guide parts makes it one of the most interesting research hot spots in the field of fluid machinery. To improve the flow field distribution of the vertical turbo air classifier, the guide holes in the air intake region are designed. The flow fields of the classifiers with and without guide holes are simulated using ANSYS‐FLUENT. The gas‐phase simulation results show that the guide holes have a ‘diversion’ effect on the airflow, decreasing the tangential velocity and increasing the radial velocity of the airflow. After the airflow passes through the guide holes, the small guide hole sizes cause the large radial velocity and the strong ‘diversion’ effect, which can improve the flow field distribution. The well‐distributed flow field of the elutriation region and annular region are obtained when the guide hole size is 7 mm × 7 mm. The discrete phase simulation results show that the cut size of the classifier without the guide holes is 9.1 μm. The cut size is 13.4 μm when the guide hole size is 7 mm × 7 mm. With the increase in the guide hole size, the cut size increases. However, when the guide hole size is larger than 10.5 mm × 10.5 mm, the cut size is almost kept unchanged, which is 22.9 μm.
PROTOCOL: The experiences of adults experiencing homelessness when accessing and using psychosocial interventions: A systematic review and qualitative evidence synthesis
Authors: O'Leary Chris , Roberts Anton , Teixeira Ligia , Coren Esther 
Published: November 2022

AbstractThe systematic review set out in this protocol is part of a broader evidence synthesis which intends to produce two systematic reviews to address a significant gap in the evidence base identified by Luchenski et al. (2018) and by White and Narayanan (2021). This review (the focus of this protocol) will be of the experiences of adults experiencing homelessness when accessing and using psychosocial interventions. This review of qualitative data will use thematic synthesis to analyse these experiences as faced by this population when accessing and using psychosocial interventions.
Comment on ‘PRISMA: A robust and intuitive tool for high‐throughput processing of chemical spectra’
Authors: Meier Robert J. 
Published: November 2022

AbstractThe analysis of spectral data, and in particular the quantification of these, highly depends on curve fitting the spectra with suitable methods. The required methodologies have been known for very long. However, even today it is a regular problem that this, i.e. physically correct analyzing spectral data, is not practiced.