bluuebunny/crossref_metadata_2025_split huggingface dataset:
Metastability relationship between two- and three-dimensional crystal structures: a case study of the Cu-based compounds
Authors: Ono Shota 
Published: July 2021

AbstractSome of the three-dimensional (3D) crystal structures are constructed by stacking two-dimensional (2D) layers. To study whether this geometric concept, i.e., using 2D layers as building blocks for 3D structures, can be applied to computational materials design, we theoretically investigate the dynamical stability of copper-based compounds CuX (a metallic element X) in the B$$_h$$

h

and L1$$_1$$

1

structures constructed from the buckled honeycomb (BHC) structure and in the B2 and L1$$_0$$

0

structures constructed from the buckled square (BSQ) structure. We demonstrate that (i) if CuX in the BHC structure is dynamically stable, those in the B$$_h$$

h

and L1$$_1$$

1

structures are also stable. Using molecular dynamics simulations, we particularly show that CuAu in the B$$_h$$

h

and L1$$_1$$

1

structures withstand temperatures as high as 1000 K. Although the interrelationship of the metastability between the BSQ and the 3D structures (B2 and L1$$_0$$

0

) is not clear, we find that (ii) if CuX in the B2 (L1$$_0$$

0

) structure is dynamically stable, that in the L1$$_0$$

0

(B2) is unstable. This is rationalized by the tetragonal Bain path calculations.
Patient characteristics and outcomes associated with adherence to the low PEEP/FIO2 table for acute respiratory distress syndrome
Authors: See Kay Choong , Sahagun Juliet , Taculod Juvel 
Published: July 2021

AbstractIt remains uncertain how best to set positive end-expiratory pressure (PEEP) for mechanically ventilated patients with the acute respiratory distress syndrome (ARDS). Among patients on low tidal volume ventilation (LTVV), we investigated if further adherence to the low PEEP/FIO2 (inspired oxygen fraction) table would be associated with better survival compared to nonadherence. Patients with ARDS, admitted directly from the Emergency Department to our 20-bed Medical Intensive Care Unit (ICU) from August 2016 to July 2017, were retrospectively studied. To determine adherence to the low PEEP/FIO2 table, PEEP and FIO2 12 h after ICU admission were used, to reflect ventilator adjustments by ICU clinicians after initial stabilization. Logistic regression was used to analyze hospital mortality as an outcome with adherence to the low PEEP/FIO2 as the key independent variable, adjusted for age, APACHE II score, initial P/F ratio and initial systolic blood pressure. 138 patients with ARDS were analysed. Overall adherence to the low PEEP/FIO2 table was 75.4%. Among patients on LTVV, nonadherence to the low PEEP/FIO2 table was associated with increased mortality compared to adherence (adjusted odds ratio 4.10, 95% confidence interval 1.68–9.99, P = 0.002). Patient characteristics at baseline were not associated with adherence to the low PEEP/FIO2 table.
Mechanisms and consequences of casein kinase II and ankyrin-3 regulation of the epithelial Na+ channel
Authors: Abd El-Aziz Tarek Mohamed , Soares Antonio G. , Mironova Elena , Boiko Nina , Kaur Amanpreet , Archer Crystal R. , Stockand James D. , Berman Jonathan M. 
Published: July 2021

AbstractActivity of the Epithelial Na+ Channel (ENaC) in the distal nephron fine-tunes renal sodium excretion. Appropriate sodium excretion is a key factor in the regulation of blood pressure. Consequently, abnormalities in ENaC function can cause hypertension. Casein Kinase II (CKII) phosphorylates ENaC. The CKII phosphorylation site in ENaC resides within a canonical “anchor” ankyrin binding motif. CKII-dependent phosphorylation of ENaC is necessary and sufficient to increase channel activity and is thought to influence channel trafficking in a manner that increases activity. We test here the hypothesis that phosphorylation of ENaC by CKII within an anchor motif is necessary for ankyrin-3 (Ank-3) regulation of the channel, which is required for normal channel locale and function, and the proper regulation of renal sodium excretion. This was addressed using a fluorescence imaging strategy combining total internal reflection fluorescence (TIRF) microscopy with fluorescence recovery after photobleaching (FRAP) to quantify ENaC expression in the plasma membrane in living cells; and electrophysiology to quantify ENaC activity in split-open collecting ducts from principal cell-specific Ank-3 knockout mice. Sodium excretion studies also were performed in parallel in this knockout mouse. In addition, we substituted a key serine residue in the consensus CKII site in β-ENaC with alanine to abrogate phosphorylation and disrupt the anchor motif. Findings show that disrupting CKII signaling decreases ENaC activity by decreasing expression in the plasma membrane. In the principal cell-specific Ank-3 KO mouse, ENaC activity and sodium excretion were significantly decreased and increased, respectively. These results are consistent with CKII phosphorylation of ENaC functioning as a “switch” that favors Ank-3 binding to increase channel activity.
Multiple slips impact in the MHD hybrid nanofluid flow with Cattaneo–Christov heat flux and autocatalytic chemical reaction
Authors: Gul Hina , Ramzan Muhammad , Chung Jae Dong , Chu Yu-Ming , Kadry Seifedine 
Published: July 2021

AbstractThe present study deliberates the nanofluid flow containing multi and single-walled carbon nanotubes submerged into Ethylene glycol in a Darcy–Forchheimer permeable media over a stretching cylinder with multiple slips. The innovation of the envisaged mathematical model is enriched by considering the impacts of non-uniform source/sink and modified Fourier law in the energy equation and autocatalytic chemical reaction in the concentration equation. Entropy optimization analysis of the mathematical model is also performed in the present problem. Pertinent transformations procedure is implemented for the conversion of the non-linear system to the ordinary differential equations. The succor of the Shooting technique combined with the bvp4c MATLAB software is utilized for the solution of a highly nonlinear system of equations. The impacts of the leading parameters versus engaged fields are inspected through graphical sketches. The outcomes show that a strong magnetic field strengthens the temperature profile and decays the velocity profile. Also, the fluid velocity is lessened for growing estimates of the parameter of slip. Additionally, it is detected that entropy number augmented for higher thermal relaxation parameter and Reynolds number. To substantiate the existing mathematical model, a comparison table is also added. An excellent correlation is achieved here.
Mutation in FBXO32 causes dilated cardiomyopathy through up-regulation of ER-stress mediated apoptosis
Authors: Al-Yacoub Nadya , Colak Dilek , Mahmoud Salma Awad , Hammonds Maya , Muhammed Kunhi , Al-Harazi Olfat , Assiri Abdullah M. , Al-Buraiki Jehad , Al-Habeeb Waleed , Poizat Coralie 
Published: July 2021

AbstractEndoplasmic reticulum (ER) stress induction of cell death is implicated in cardiovascular diseases. Sustained activation of ER-stress induces the unfolded protein response (UPR) pathways, which in turn activate three major effector proteins. We previously reported a missense homozygous mutation in FBXO32 (MAFbx, Atrogin-1) causing advanced heart failure by impairing autophagy. In the present study, we performed transcriptional profiling and biochemical assays, which unexpectedly revealed a reduced activation of UPR effectors in patient mutant hearts, while a strong up-regulation of the CHOP transcription factor and of its target genes are observed. Expression of mutant FBXO32 in cells is sufficient to induce CHOP-associated apoptosis, to increase the ATF2 transcription factor and to impair ATF2 ubiquitination. ATF2 protein interacts with FBXO32 in the human heart and its expression is especially high in FBXO32 mutant hearts. These findings provide a new underlying mechanism for FBXO32-mediated cardiomyopathy, implicating abnormal activation of CHOP. These results suggest alternative non-canonical pathways of CHOP activation that could be considered to develop new therapeutic targets for the treatment of FBXO32-associated DCM.
A diffusion anisotropy descriptor links morphology effects of H-ZSM-5 zeolites to their catalytic cracking performance
Authors: Liu Xiaoliang , Shi Jing , Yang Guang , Zhou Jian , Wang Chuanming , Teng Jiawei , Wang Yangdong , Xie Zaiku 
Published: July 2021

AbstractZeolite morphology is crucial in determining their catalytic activity, selectivity and stability, but quantitative descriptors of such a morphology effect are challenging to define. Here we introduce a descriptor that accounts for the morphology effect in the catalytic performances of H-ZSM-5 zeolite for C4 olefin catalytic cracking. A series of H-ZSM-5 zeolites with similar sheet-like morphology but different c-axis lengths were synthesized. We found that the catalytic activity and stability is improved in samples with longer c-axis. Combining time-resolved in-situ FT-IR spectroscopy with molecular dynamics simulations, we show that the difference in catalytic performance can be attributed to the anisotropy of the intracrystalline diffusive propensity of the olefins in different channels. Our descriptor offers mechanistic insight for the design of highly effective zeolite catalysts for olefin cracking.
Chemoenzymatic synthesis of 3-ethyl-2,5-dimethylpyrazine by L-threonine 3-dehydrogenase and 2-amino-3-ketobutyrate CoA ligase/L-threonine aldolase
Authors: Motoyama Tomoharu , Nakano Shogo , Hasebe Fumihito , Miyata Ryo , Kumazawa Shigenori , Miyoshi Noriyuki , Ito Sohei 
Published: July 2021

AbstractPyrazines are typically formed from amino acids and sugars in chemical reactions such as the Maillard reaction. In this study, we demonstrate that 3-ethyl-2,5-dimethylpyrazine can be produced from L-Thr by a simple bacterial operon. We conclude that EDMP is synthesized chemoenzymatically from L-Thr via the condensation reaction of two molecules of aminoacetone and one molecule of acetaldehyde. Aminoacetone is supplied by L-threonine 3-dehydrogenase using L-Thr as a substrate via 2-amino-3-ketobutyrate. Acetaldehyde is supplied by 2-amino-3-ketobutyrate CoA ligase bearing threonine aldolase activity from L-Thr when CoA was at low concentrations. Considering the rate of EDMP production, the reaction intermediate is stable for a certain time, and moderate reaction temperature is important for the synthesis of EDMP. When the precursor was supplied from L-Thr by these enzymes, the yield of EDMP was increased up to 20.2%. Furthermore, we demonstrate that this reaction is useful for synthesizing various alkylpyrazines.
A drastic improvement in photocatalytic H2 production by TiO2 nanosheets grown directly on Ta2O5 substrates
Authors: Osuagwu Benedict , Raza Waseem , Tesler Alexander B. , Schmuki Patrik 
Published: July 2021

Herein we demonstrate that anatase TiO2 nanosheets (NS) can be grown on a Ta2O5 substrate. A Ta2O5 back contact exhibit a 170-fold increase in photocatalytic H2 production rate than that obtained by TiO2 NSs grown normally on FTO substrate.
Solar atmosphere radiative transfer model comparison based on 3D MHD simulations
Authors: Haberreiter M. , Criscuoli S. , Rempel M. , Pereira T. M. D. 
Published: July 2021

Context. The reconstruction of the solar spectral irradiance (SSI) on various time scales is essential for the understanding of the Earth’s climate response to the SSI variability.
Aims. The driver of the SSI variability is understood to be the intensity contrast of magnetic features present on the Sun with respect to the largely non-magnetic quiet Sun. However, different spectral synthesis codes lead to diverging projections of SSI variability. In this study we compare three different radiative transfer codes and carry out a detailed analysis of their performance.
Methods. We perform the spectral synthesis at the continuum wavelength of 665 nm with the Code for Solar Irradiance, and the Rybicki-Hummer, and Max Planck University of Chicago Radiative MHD codes for three 3D MHD simulations snapshots, a non-magnetic case, and MHD simulations with 100 G, and 200 G magnetic field strength.
Results. We determine the intensity distributions, the intensity differences and ratios for the spectral synthesis codes. We identify that the largest discrepancies originate in the intergranular lanes where the most field concentration occurs.
Conclusions. Overall, the applied radiative transfer codes give consistent intensity distributions. Also, the intensity variation as a function of magnetic field strength for the particular 100 G and 200 G snapshots agree within the 2–3% range.
Native language, L2 experience, and pitch processing in music
Authors: Chen Ao , Çetinçelik Melis , Roncaglia-Denissen M. Paula , Sadakata Makiko 
Published: July 2021

Abstract
The current study investigated how the role of pitch in one’s native language and L2 experience influenced musical
melodic processing by testing Turkish and Mandarin Chinese advanced and beginning learners of English as an L2. Pitch has a lower
functional load and shows a simpler pattern in Turkish than in Chinese as the former only contrasts between presence and the
absence of pitch elevation, while the latter makes use of four different pitch contours lexically. Using the Musical Ear Test as
the tool, we found that the Chinese listeners outperformed the Turkish listeners, and the advanced L2 learners outperformed the
beginning learners. The Turkish listeners were further tested on their discrimination of bisyllabic Chinese lexical tones, and
again an L2 advantage was observed. No significant difference was found for working memory between the beginning and advanced L2
learners. These results suggest that richness of tonal inventory of the native language is essential for triggering a music
processing advantage, and on top of the tone language advantage, the L2 experience yields a further enhancement. Yet, unlike the
tone language advantage that seems to relate to pitch expertise, learning an L2 seems to improve sound discrimination in general,
and such improvement exhibits in non-native lexical tone discrimination.
Marking various aspects in Turkish Sign Language
Authors: Karabüklü Serpil , Wilbur Ronnie B. 
Published: July 2021

Abstract
Sign languages have been reported to have manual signs that function as perfective morphemes (Fischer & Gough 1999; Meir 1999; Rathmann 2005; Duffy 2007; Zucchi et al. 2010). Turkish Sign Language (TİD) has also been claimed to have such morphemes (Zeshan 2003; Kubuş & Rathmann 2009; Dikyuva 2011; Gökgöz 2011; Karabüklü 2016) as well as a nonmanual completive marker (‘bn’) (Dikyuva 2011). This study shows that the nonmanual ‘bn’ is in fact a perfective morpheme. We examine its compatibility with different event types and furthermore show that TİD has a manual sign bı̇t (‘finish’) that is indeed the completive marker but with possibly unusual restrictions on its use. Based on their distribution, the current study distinguishes bı̇t and ‘bn’ as different morphemes even though they can co-occur. TİD is argued to be typologically different from other sign languages since it has both a nonmanual marker (‘bn’) for a perfective morpheme and a manual sign (bı̇t) with different selectional properties than the manual signs reported for other sign languages.
Adventure Voluntourism: Help Manage Your Park
Authors: Bristow R. S. 
Published: July 2021

Abstract
Adventure tourists are engaged in a variety of activities around the world in parks and protected areas. For these tourists, one of the more popular interests is hiking. Hiking may involve a short walk in the local park or an extended long distance experience found during the pilgrimage on the Camino de Santiago or America’s long distance giant, the Appalachian Trail. Hikers can become the eyes and ears for park management, especially needed in the backcountry lands away from the busy trail.

Information

Adapted from ‘Chapter 12 - Altruistic Adventure Voluntourism: Help Manage the Park You Visit’. In: Jenkins, I. (Ed.) Adventure Tourism and Outdoor Activities Management: A 21
st
Century Toolkit. CABI, pp. 145-154.

© CAB International 2019
Development of the Joint-Venture Anvil Bay Chemucane Lodge in the Maputo Special Reserve, Mozambique
Authors: Spenceley Anna 
Published: July 2021

Abstract
This case explains the story of the establishment of Anvil Bay; a nine-chalet (18-bed) lodge situated in the Maputo Special Reserve in Mozambique. The government of Mozambique awarded a 50-year concession to the Ahi Zameni Chemucane Association, which in turn has a 25-year agreement with the Chemucane Tourism Company, a joint-venture company, to develop and operate the lodge. The development of the lodge has received technical and financial support from non-governmental organisations and a development bank.

Information
Snyman, S. and Spenceley, A. (2019) Private Sector Tourism in Conservation Areas in Africa, CABI, Chapter 4.1.1, Case study 19: Anvil Bay, Chemucane Lodge, Mozambique, pp96-99
© CAB International 2021
Nazy’s Battle to Change the Image of the Pankisi Valley through Tourism
Authors: Seabolt Katie , Couttet Alizée , Jeannon Marine 
Published: July 2021

Abstract
In creating Nazy’s Guest House, Nazy Dakishvili sought to change the image of the Pankisi Valley – the valley of the Kist’s – a region of Georgia whose reputation was damaged by fall-out from the Chechen conflict just across the border, decades ago. Her goal was to demonstrate to visitors from the outside world the unique culture and traditions of hospitality of her native land.

Information
Written on the basis of material provided by Nazy Dakishvili of Nazy’s Guest House.
© CAB International 2021
Exploring the Case Nazy’s Battle to Change the Image of the Pankisi Valley through Tourism
Authors: Ward-Perkins David 
Published: July 2021

Introduction
The Pankisi Valley case brings to the surface a number of interesting and related issues relative to consumers’ perceptions of destinations and their host communities.
We live in a complex world and our interpretation of distant countries tends to be shaped by the simplified messages of the 24-hour news cycle. A localized earthquake or a single terrorist attack can colour our views of a whole country, immediately and negatively affecting tourist attitudes and travel plans.
A metal-free graphdiyne material for highly efficient oxidation of benzene to phenol
Authors: Yu Huidi , Hui Lan , Fang Yan , Xue Yurui , He Feng , Li Yuliang 
Published: July 2021

Abstract
Synthesizing active and durable catalysts for oxidizing benzene to phenol through benzene oxidation reaction (BOR) is of great significance for the next-generation phenol industry. The appearance of graphdiyne (GDY) brings us a very excited discovery that we can systematically study on theoretically and experimentally the exact location of active sites and reaction mechanisms of BOR using GDY as the model system. The results give us a clear understanding on the active sites responsible for BOR and sp-hybridized acetylenic bonds in GDY guarantees the activation of benzene molecule by forming new type of ‘–COO/–COOH’ active centers and efficient O transport of BOR kinetics, leading to efficient catalytic performances. The catalytic mechanism and process of GDY are clear and are the first class of metal-free catalysts capable of directly oxidizing benzene to phenol at ambient pressure and room temperature. The catalyst exhibits excellent catalytic activity with the average value of selectivity to be 82.29 ± 2.69% and the conversion to be 8.30 ± 0.66% at low temperature, superior to reported carbon materials.
Preconcentration of charged molecules on paper pads using greenly synthesized smart nano-composite membranes
Authors: Syed Abeer , Da’na Enshirah , Taha Amel 
Published: July 2021

Abstract
Low concentration of biomarkers (proteins, nucleic acids, metabolites) is a major concern in early disease diagnosis due to the very low concentration of these biomarkers at the early stage of any disease. This challenge can be addressed by preconcentrating the biomarkers to improve the sensitivity of the diagnostic device. This paper describes a novel method to preconcentrate the charged molecules on paper using greenly synthesized iron nanoparticles. The iron nanoparticles were synthesized by utilizing plant extract as stabilizing agent, which both minimizes the cost and protects the environment. Three different samples of the nanoparticles were prepared by changing the charge or attaching a functional group (amine) to the surface. The iron nanoparticles act as a charged nanoporous membrane when deposited on the paper pads inducing electrostatic forces around the membrane leading to the concentration of the charged analytes near the boundary of the membrane. Crystal violet was used as a surrogate for the charged biomolecule. We report ∼24-fold increase in the concentration of crystal violet dye within 120 seconds using the positively charged membrane and the 0.2 mM dye solution. The developed experimental set-up eliminates the need for external pumping device and complex fabrication processes making the proposed method cost-effective, environment-friendly, and simple to use.
A spotlight on prey-induced metabolite dynamics in sundew. A commentary on: ‘Metabolomic analysis reveals reliance on secondary plant metabolites to facilitate carnivory in the Cape sundew,Drosera capensis’
Authors: Mithöfer Axel 
Published: July 2021

This article comments on:Christopher R. Hatcher, Ulf Sommer, Liam M. Heaney and Jonathan Millett, Metabolomic analysis reveals reliance on secondary plant metabolites to facilitate carnivory in the Cape sundew, Drosera capensis, Annals of Botany Volume 128, Issue 3, 26 August 2021, Pages 301–314, https://doi.org/10.1093/aob/mcab065
Improved prediction of conopeptide superfamilies with ConoDictor 2.0
Authors: Koua Dominique , Ebou Anicet , Dutertre Sébastien 
Published: July 2021

Abstract

Motivation
Cone snails are among the richest sources of natural peptides with promising pharmacological and therapeutic applications. With the reduced costs of RNAseq, scientists now heavily rely on venom gland transcriptomes for the mining of novel bioactive conopeptides, but the bioinformatic analyses often hamper the discovery process.

Results
Here, we present ConoDictor 2.0 as a standalone and user-friendly command-line program. We have updated the program originally published as a web server 10 years ago using novel and updated tools and algorithms and improved our classification models with new and higher quality sequences. ConoDictor 2.0 is now more accurate, faster, multiplatform and able to deal with a whole cone snail venom gland transcriptome (raw reads or contigs) in a very short time. The new version of Conodictor also improves the identification and subsequent classification for entirely novel or relatively distant conopeptides. We conducted various tests on known conopeptides from public databases and on the published venom duct transcriptome of Conus geographus, and compared previous results with the output of ConoDictor 2.0, ConoSorter and BLAST. Overall, ConoDictor 2.0 is 4 to 8 times faster for the analysis of a whole transcriptome on a single core computer and performed better at predicting gene superfamily.

Availability and implementation
ConoDictor 2.0 is available as a python 3 git folder at https://github.com/koualab/conodictor.

Supplementary information
Supplementary data are available at Bioinformatics Advances online.