bluuebunny/crossref_metadata_2025_split huggingface dataset:
Ketamine mouthwash versus placebo in the treatment of severe oral mucositis pain in children with cancer: A randomized double‐blind placebo‐controlled trial
Authors: Prakash Satya , Meena Jagdish Prasad , Gupta Aditya Kumar , Bakhshi Sameer , Velpandian Thirumurthy , Pandey R. M. , Seth Rachna 
Published: July 2020

AbstractBackground and aimsOral mucositis (OM) is a common and distressing toxicity in children on chemotherapy. There are a limited number of safe and effective therapeutic options available for OM. Ketamine oral rinse has shown promising results in a few studies in adults. This randomized, double‐blind placebo‐controlled trial aimed to test the efficacy of ketamine mouthwash in reducing chemotherapy‐induced severe OM pain in children.MethodsChildren aged 8‐18 years with severe OM were randomized to a single dose of ketamine mouthwash (4 mg/mL solution; dose 1 mg/kg) or a placebo. A sample size of 44 patients was determined. Pain score (6‐point faces scale) was noted at baseline and 15, 30, 45, 60, 120, 180, and 240 min. The outcome variables were a reduction in pain score, need for rescue medications, and adverse events.ResultsThe baseline characteristics were comparable in the two groups. The mean OM pain at 60 min decreased by 1.64 points (CI 1.13‐2.14) in the ketamine group and 1.32 points (CI 0.76‐1.87) in the placebo group (P = 0.425), with a group difference of 0.32 points. Rescue pain medication (at 60 min) was required in 13.6% in the ketamine group and 18.2% in the placebo group (P = 1.000). No significant adverse events were observed.ConclusionsAmong children on cancer chemotherapy with severe OM, ketamine mouthwash at a dose of 1 mg/kg did not significantly reduce OM pain. It did not decrease the need for rescue pain medications. Further research is warranted to test higher doses of ketamine for a clinically significant effect.
Estimation of the enthalpy of formation for monosubstituted alkanes by 13C NMR chemical shift
Authors: Wu Yaxin , Tang Kai 
Published: July 2020

AbstractThe quantitative relationship between the 13C nuclear magnetic resonance (NMR) chemical shift and the enthalpy of formation of monosubstituted alkanes was studied, and a new approach for calculating enthalpy of formation was proposed. The experimental values of the enthalpy of formation of 64 monosubstituted alkanes were correlated with the parameters SCS (the sum of chemical shift), P3 (path counts of length three bonds), n (the number of C atoms), h[X] (the contributions of the substituent X to the ΔfH°(RX)), and the product of IPI(X) (the interaction potential index) and PEI(R) (the polarizability effect index). The regression results show a good correlation (R = 0.9998, S = 4.5 kJ/mol). Its stability and prediction ability were confirmed by the results of the random sampling method and the leave‐one‐out method. In this paper, the 13C NMR chemical shift and the enthalpy of formation of monosubstituted alkanes were associated quantitatively. The significance is not only to propose a new method to estimate the enthalpy of formation of monosubstituted alkanes, but also to establish a new method to understand the relationship between different properties based on a same molecular structure. Moreover, it provides a new approach for calculating a molecular difficult‐to‐test property parameter by means of another easy‐to‐test one.
On‐wafer thermomechanical characterization of a thin film polyimide formed by vapor deposition polymerization for through‐silicon via applications: Comparison to plasma‐enhanced chemical vapor deposition SiO2
Authors: Fukushima Takafumi , Murugesan Mariappan , Bea Ji‐Cheol , Hashimoto Hiroyuki , Kino Hisashi , Tanaka Tetsu , Koyanagi Mitsumasa 
Published: July 2020

AbstractThin‐film polyimides were prepared by solvent‐less vapor deposition polymerization (VDP) from pyromellitic dianhydride and 4,4′‐oxydianiline at 200 °C for liner dielectric formation of vertical interconnects called through‐silicon vias (TSVs) used in three‐dimensionally stacked integrated circuit (3DICs). FTIR, synchrotron XPS, and TDS were employed for determining the imidization ratio, and in addition, the mechanical properties, coefficient of thermal expansion and Young's modulus, of the VDP polyimide were characterized on Si wafers. The VDP polyimide exhibited extremely high conformality, beyond 75%, toward high‐aspect‐ratio deep Si holes, compared with conventional SiO2 prepared by plasma‐enhanced chemical vapor deposition. The adhesion between the VDP polyimide and Si wafer was enhanced by an Al‐chelate promotor. Remarkably, the VDP polyimide TSV liner dielectrics showed much less thermomechanical stresses applied to the Si surrounding the TSVs than the plasma‐chemical vapor deposition SiO2. The small keep‐out zone is expected for scaling down highly reliable 3DICs for the upcoming real artificial intelligence society.
Adjusted multiple gases in the plasma flow induce differential antitumor potentials of plasma‐activated solutions
Authors: Nakamura Kae , Yoshikawa Nobuhisa , Yoshihara Masato , Ikeda Yoshiki , Higashida Akihiro , Niwa Akihiro , Jindo Takahiro , Tanaka Hiromasa , Ishikawa Kenji , Mizuno Masaaki , Toyokuni Shinya , Hori Masaru , Kikkawa Fumitaka , Kajiyama Hiroaki 
Published: July 2020

AbstractWe present a novel plasma system that can generate a plasma‐activated medium by changing the proportion of reactive gases such as oxygen, nitrogen, and hydrogen in the plasma flow. The correlation between the biological activity of plasma‐activated solutions prepared under multiple plasma gas‐flow conditions was evaluated. Mixed nitrogen, in addition to oxygen, in the gas flow is most powerful for producing plasma‐activated Ringer's lactate solution against antitumor effects on ovarian cancer cells as compared with oxygen or nitrogen alone. The antitumor effect of plasma‐activated solutions is controllable by the modification of the proportion of reactive gases (especially nitrogen and oxygen gases) in the plasma flow. These results suggest that the plasma flow conditions may be one of the candidates for the specifications of the plasma‐activated solutions to the therapeutic effect.
Mechanistic insights into antiretroviral drug‐induced liver injury
Authors: Pillaye Jamie N. , Marakalala Mohlopheni J. , Khumalo Nonhlanhla , Spearman Wendy , Ndlovu Hlumani 
Published: July 2020

AbstractAll classes of antiretroviral therapy (ART) have been implicated to induce adverse drug reactions such drug‐induced liver injury (DILI) and immune‐mediated adverse reactions in Human Immunodeficiency Virus (HIV) infected individuals. Patients that develop adverse drug reactions tend to have prolonged stays in hospital and may require to change to alternative regimens if reactions persist upon rechallenge or if rechallenge is contraindicated due to severity of the adverse reaction. Diagnosis of DILI remains a huge obstacle that delays timely interventions, since it is still based largely on exclusion of other causes. There is an urgent need to develop robust diagnostic and predictive biomarkers that could be used alongside the available tools (biopsy, imaging, and serological tests for liver enzymes) to give a specific diagnosis of DILI. Crucial to this is also achieving consensus in the definition of DILI so that robust studies can be undertaken. Importantly, it is crucial that we gain deeper insights into the mechanism of DILI so that patients can receive appropriate management. In general, it has been demonstrated that the mechanism of ART‐induced liver injury is driven by four main mechanisms: mitochondrial toxicity, metabolic host‐mediated injury, immune reconstitution, and hypersensitivity reactions. The focus of this review is to discuss the type and phenotypes of DILI that are caused by the first line ART regimens. Furthermore, we will summarize recent studies that have elucidated the cellular and molecular mechanisms of DILI both in vivo and in vitro.
Constructing exact tolerance intervals for the exponential distribution based on record values
Authors: Guo Baocai , Zhu Naifan , Wang Wei , Wang Hsiuying 
Published: July 2020

AbstractRecently, with the wide application of tolerance intervals (TIs), especially in quality management, the construction of TIs has attracted increasing attention. However, TIs applied to record data have not been well established as they have been for complete data. In many industrial stress tests, only record data are stored instead of complete data, which leads to the fact that the developments of methods based on record data are as important as those based on complete data. In this paper, we propose the exact two‐sided TIs for the exponential distribution based on record values from the frequentist and Bayesian perspectives. The accuracy of each type of TIs is quantified. The results show that the Bayesian approach is superior to the frequentist approach in terms of the accuracy. A real data example is used to illustrate the constructions and implementations of the proposed TIs.
A theoretical study of carbazole dimers: Does carbazole form an excimer that undermines the performance of organic light emitting diodes?
Authors: Lee Kyungeon , Kim Dongwook 
Published: July 2020

AbstractCarbazole (Cz) dimers in various cofacial conformations, including staggered (Stg), anti, and syn, were explored by means of ab initio calculations at scaled opposite‐spin (SOS)‐MP2, SOS‐CIS(D0), and additional coupled cluster calculation levels. Similar to other π‐conjugated molecules, strong Cz excimers form in the syn conformation in both S1 and T1 states, leading to significantly reduced optical excitation energies. Upon excitation, the dimers in the Stg and anti‐conformations remain simple excited dimers, exhibiting similar optical energy gaps to those of the monomer. Being far more stable in the ground state, however, the Stg dimer is nearly isoenergetic to the syn dimer in the S1 state and even more stable in the T1 state. Given that the intermolecular interactions in the ground state are expected to govern the dimer conformations of Cz‐based materials in the solid‐state films of organic electronics, our results strongly demonstrate that the electronic excitation of Cz dimers do not necessarily lead to the strong excimer formation unless Cz molecules are forced to be arranged in the syn conformation.
Acceleration of catalyst discovery with easy, fast, and reproducible computational alchemy
Authors: Griego Charles D. , Kitchin John R. , Keith John A. 
Published: July 2020

AbstractThe expense of quantum chemistry calculations significantly hinders the search for novel catalysts. Here, we provide a tutorial for using an easy and highly cost‐efficient calculation scheme, called alchemical perturbation density functional theory (APDFT), for rapid predictions of binding energies of reaction intermediates and reaction barrier heights based on the Kohn‐Sham density functional theory (DFT) reference data. We outline standard procedures used in computational catalysis applications, explain how computational alchemy calculations can be carried out for those applications, and then present benchmarking studies of binding energy and barrier height predictions. Using a single OH binding energy on the Pt(111) surface as a reference case, we use computational alchemy to predict binding energies of 32 variations of this system with a mean unsigned error of less than 0.05 eV relative to single‐point DFT calculations. Using a single nudged elastic band calculation for CH4 dehydrogenation on Pt(111) as a reference case, we generate 32 new pathways with barrier heights having mean unsigned errors of less than 0.3 eV relative to single‐point DFT calculations. Notably, this easy APDFT scheme brings no appreciable computational cost once reference calculations are performed, and this shows that simple applications of computational alchemy can significantly impact DFT‐driven explorations for catalysts. To accelerate computational catalysis discovery and ensure computational reproducibility, we also include Python modules that allow users to perform their own computational alchemy calculations.
Coceth sulfate characterization by electrospray ionization tandem mass spectrometry
Authors: Onzo Alberto , Acquavia Maria A. , Cataldi Tommaso R. I. , Ligonzo Mattia , Coviello Donatella , Pascale Raffaella , Martelli Giuseppe , Bondoni Marcella , Scrano Laura , Bianco Giuliana 
Published: July 2020

RationaleThe anionic surfactants, among which are alkyl ether sulfates (AESs), are the most used class of surfactants in cleansing applications. The negatively charged head group of AESs is a sulfate moiety linked with a variable number of ethylene oxide units, i.e. a polyethylene glycol chain. The hydrophobic part of an AES is constituted by a linear alkyl chain of carbon atoms, generally obtained from natural fatty acids. Coconut oil fatty acids, including the sodium salts of coceth sulfate (CES) with chemical formula CxHy (OCH2CH2)nOSO3Na, are widely used as feedstock for AESs synthesis. CES is added to many cleaning products and detergents defined as non‐aggressive. Currently, no detailed structural information concerning the alkyl chain length x and, more importantly, the degree of ethoxylation n has been reported.MethodsA commercial standard solution of CES was characterized by tandem mass spectrometry, employing direct injection into the electrospray ionization (ESI) source of a a linear quadrupole ion trap mass spectrometer.ResultsTwo series of oligomeric species, characterized by a C12 and C14 alkyl chains, i.e. [C12H25(OCH2CH2)nOSO3]− and [C14H29(OCH2CH2)nOSO3]− with n ranging from 0 to 7, were successfully identified. The interpretation of these data was very useful for CES identification in three commercial dishwasher cleaning products.ConclusionsDirect injection MS/MS analysis of CES revealed a well‐defined molecular weight distribution and allowed the alkyl chain composition and the number of ethylene oxide units to be to identified.
Relationships among side‐scan sonar classified substrates and fish‐catch rates at multiple spatial scales
Authors: Parker Jerrod , Pescitelli Stephen M. , Epifanio John , Cao Yong 
Published: July 2020

AbstractPhysical habitat is crucial for structuring local fish assemblages. Understanding habitat structure is important for fish management and conservation. Herein, we assessed whether sonar‐derived substrate data could explain spatial variation in species‐catch rates. Using a side‐scan sonar, we mapped the substrates of two non‐wadeable rivers in Illinois, USA and conducted standardized fish surveys at 40 sites over a 3‐year period. We used four fish species from lentic and lotic guilds, with each guild represented by a large piscivore and small insectivore. For each of the 40 sites, we characterized substrate composition at five spatial scales (0.1, 0.5, 1, 2, and 5 km) and used linear regression to explain site variations in species abundance or biomass. We hypothesized that larger spatial scales would better explain the catch rates of large species, and that biomass would be better explained than abundance. The proportion of variance in fish‐catch rates, explained by substrate composition, varied greatly (0.02 ≤ adjR2 ≤ 0.74, mean adjR2 = 0.38) with respect to species, spatial scales, and predictors used. However, we did not observe a consistent relationship between body size and the most relevant scale. Species biomass was more closely related to substrate composition than was species abundance and the best models selected based on AICc reached an average adjR2 of 0.49 (0.25–0.74) across the four species, compared with that of 0.43 (0.20–0.64) obtained via the best abundance‐based models. We conclude that substrate data obtained using side‐scan sonar are useful for improving our understanding of river fish ecology.
Nestedness Temperature in the Agent-Artifact Space: Emergence of Hierarchical Order in the 2000–2014 Photonics Techno-Economic Complex System
Authors: Righi Riccardo , Samoili Sofia , Baillet Miguel Vazquez-Prada , Lopez-Cobo Montserrat , Cardona Melisande , De Prato Giuditta 
Published: July 2020

AbstractIn this work we represent a techno-economic complex system based on the agent-artifact space theoretical model. The objective is to structure a methodology to statistically investigate the presence of hierarchical order, as an emerging property of this system. To analyse the agent-artifact space, two statistical methodologies are initially employed. The first is a community detection method, employed with the objective to detect groups of agents that are likely to intensively exchange information within the considered complex system. The second is a natural language processing method, the LDA topic model, employed with the objective of identifying types of artifacts as technological subdomains through textual information that describes the activities of agents. After this initial part, we address the investigation of the structure of the agent-artifact space by estimating the involvement of each community in the detected topics. This is effectuated by means of a statistic that considers the information flow percentage of agents, the fractional count of activities, and the probability of agents’ activities to belong to topics. We then estimate the hierarchical order of the topics’ distribution in communities, by computing its nestedness temperature, which is adopted by studies on ecological systems. This statistic’s significance is finally evaluated with z-scores based on homogeneous systems. The case study is a system consisted of economic agents (e.g. firms, universities, governmental institutions) patenting in the technological domain of photonics. The analysis is effectuated over five time spans in the period 2000–2014. The observed values of nestedness temperature are proved statistically significant, which suggests that hierarchical order is an emerging property of the agent-artifact space.
Nonlinear fluctuations in relativistic causal fluids
Authors: Miron-Granese Nahuel , Kandus Alejandra , Calzetta Esteban 
Published: July 2020

AbstractIn the Second Order Theories (SOT) of real relativistic fluids, the non-ideal properties of the flows are described by a new set of dynamical tensor variables. In this work we explore the non-linear dynamics of those variables in a conformal fluid. Among all possible SOTs, we choose to work with the Divergence Type Theories (DTT) formalism, which ensures that the second law of thermodynamics is fulfilled non-perturbatively. The tensor modes include two divergence-free modes which have no analog in theories based on covariant generalizations of the Navier-Stokes equation, and that are particularly relevant because they couple linearly to a gravitational field. To study the dynamics of this irreducible tensor sector, we observe that in causal theories such as DTTs, thermal fluctuations induce a stochastic stirring force, which excites the tensor modes while preserving energy momentum conservation. From fluctuation-dissipation considerations it follows that the random force is Gaussian with a white spectrum. The irreducible tensor modes in turn excite vector modes, which back-react on the tensor sector, thus producing a consistent non-linear, second order description of the divergence-free tensor dynamics. Using the Martin-Siggia-Rose (MSR) formalism plus the Two-Particle Irreducible Effective Action (2PIEA) formalism, we obtain the one-loop corrected equations for the relevant two-point correlation functions of the model: the retarded propagator and the Hadamard function. The overall result of the self-consistent dynamics of the irreducible tensor modes at this order is a depletion of the spectrum in the UV sector, which suggests that tensor modes could sustain an inverse entropy cascade.
Effects of sub-chronic amylin receptor activation on alcohol-induced locomotor stimulation and monoamine levels in mice
Authors: Kalafateli Aimilia Lydia , Aranäs Cajsa , Jerlhag Elisabet 
Published: July 2020

Abstract
Rationale
Amylin receptors consist of the calcitonin receptor (CTR) and one of three receptor activity-modifying proteins (RAMPs). The identification of amylin receptors in areas processing reward, namely laterodorsal tegmental area (LDTg), ventral tegmental area (VTA), and nucleus accumbens (NAc), has attributed them a role as reward regulators. Indeed, acute activation of amylin receptors by the amylin receptor agonist salmon calcitonin (sCT) attenuates alcohol-induced behaviours in rodents.

Objectives
The effects of long-term administration of sCT on alcohol-related behaviours and the molecular mechanisms underlying these processes are not yet elucidated. To fill this knowledge gap, we investigated the effects of sub-chronic sCT treatment on the locomotor stimulatory responses to alcohol in mice and the molecular pathways involved.

Methods
We assessed the behavioural effects of sub-chronic sCT treatment by means of locomotor activity experiments in mice. We used western blot to identify changes of the CTR levels and ex vivo biochemical analysis to detect changes in monoamines and their metabolites.

Results
After discontinuation for 5 days of sCT treatment, alcohol did not induce locomotor stimulation in mice pre-treated with sCT when compared with vehicle, without altering secondary behavioural parameters of the locomotor activity experiment or the protein levels of the CTR in reward-related areas in the same set of animals. Moreover, repeated sCT treatment altered monoaminergic neurotransmission in various brain areas, including increased serotonin and decreased dopamine turnover in the VTA. Lastly, we identified a differential effect of repeated sCT and acute alcohol administration on alcohol-induced locomotion in mice, where sCT initially attenuated and later increased this alcohol response. It was further found that this treatment combination did not affect secondary behavioural parameters measured in this locomotor activity experiments.

Conclusions
These data suggest that sub-chronic sCT treatment differentially alters the ability of alcohol to cause locomotor stimulation, possibly through molecular mechanisms involving various neurotransmitter systems and not the CTR levels per se.
‘Relative Consent’ or ‘Presumed Consent’? Organ donation attitudes and behaviour
Authors: Costa-Font Joan , Rudisill Caroline , Salcher-Konrad Maximilian 
Published: July 2020

AbstractLegislation, in the form of presumed consent, has been argued to boost organ donation but most evidence disregards the practice of seeking relative’s consent, which can either ‘veto’ donation decisions, or ‘legitimize them’, by removing any possible conflict with the donor’s family. We study the effect of presumed consent alongside family consent on individuals’ willingness to donate (WTD) one’s own and relatives’ organs, and on actual organ donation behaviours. Using data from 28 European countries for the period 2002–2010, we found that presumed consent (PC) policies are associated with increased willingness to donate organs, but this effect was attenuated once internal family discussions on organ donation were controlled for. Our findings indicate that relative’s consent acts as a veto of donation intentions and attenuates the effect of regulation on actual donations. More specifically, PC increases WTD one’s own and relatives’ organs in countries where no family consent is required. Consistently, we find that family consent attenuates the influence of regulatory environment on actual donations. The effect is driven by the influence of family discussions which increased WTD, and in combination with presumed consent translated into higher organ donation rates.