bluuebunny/crossref_metadata_2025_split huggingface dataset:
Aroma determination in alcoholic beverages: Green MS‐based sample preparation approaches
Authors: Piergiovanni Maurizio , Gosetti Fabio , Rocío‐Bautista Priscilla , Termopoli Veronica 
Published: August 2022

AbstractAroma determination in alcoholic beverages has become a hot research topic due to the ongoing effort to obtain quality products, especially in a globalized market. Consumer satisfaction is mainly achieved by balancing several aroma compounds, which are mixtures of numerous volatile molecules enclosed in challenging matrices. Thus, sample preparation strategies for quality control and product development are required. They involve several steps including copious amounts of hazardous solvents or time‐consuming procedures. This is bucking the trend of the ever‐increasing pressure to reduce the environmental impact of analytical chemistry processes. Hence, the evolution of sample preparation procedures has directed towards miniaturized techniques to decrease or avoid the use of hazardous solvents and integrating sampling, extraction, and enrichment of the targeted analytes in fewer steps. Mass spectrometry coupled to gas or liquid chromatography is particularly well suited to address the complexity of these matrices. This review surveys advancements of green miniaturized techniques coupled to mass spectrometry applied on all categories of odor‐active molecules in the most consumed alcoholic beverages: beer, wine, and spirits. The targeted literature consider progresses over the past 20 years.
Transition Services for Children and Young Adults with Movement Disorders: A Survey by the MDS Task Force on Pediatrics
Authors: Batla Amit , Lin Jean‐Pierre , Sahu Jitendra K. , Mink Jonathan W. , Pringsheim Tamara , Roze Emmanuel , Kurian Manju , Fung Victor 
Published: August 2022

ABSTRACTBackgroundThere is currently very limited data related to transition services for movement disorders.ObjectivesMovement Disorders Society (MDS) Task Force on Pediatrics conducted a survey of current provision of transition for young adults with movement disorders.MethodsThe survey questionnaire was based on review of available evidence, with questions designed to capture service location, transition clinic structure, and core issues discussed. The questionnaire was digitalized as an online survey and sent to all members of the MDS.ResultsResponses were received from a total of 252 MDS members representing 67 countries. Of the responders, 59% confirmed that they provided transition clinics for adolescents with movement disorders. Overall, there was some consensus regarding transition services in terms of patient age at transition, movement disorder etiologies, staffing the service, and medical/social issues discussed.ConclusionThis survey provides first‐hand data of existing movement disorder transition services and provides useful insights on transition clinics.
Investigation of the effect of steel fiber (200 mesh size) hybridization on properties of steel/glass fiber and steel/basalt fiber reinforced epoxy composite laminates
Authors: Fayzulla Bayan Jabar , Eroğlu Mehmet , Erkliğ Ahmet 
Published: August 2022

AbstractSteel fiber is the most common metal fiber used due to its cost‐effectiveness, high performance, and availability despite its heavyweight. This study is an attempt to evaluate the mechanical properties of steel/glass fiber and steel/basalt fiber‐reinforced epoxy composites. The symmetric hybrid laminates were produced by replacing the innermost 1, 2, 3, and 4 layers of steel fiber (200 mesh size) with basalt and glass fiber layers. The specimens were subjected to tensile, flexural, and Charpy impact tests in accordance with relevant ASTM standards. Moreover, fracture surfaces were analyzed, and the micrographs were obtained using a scanning electron microscope. The results showed that a high improvement in tensile strength was achieved with BS1–E (1 layer steel mesh–8 layers basalt) and GS1–E (1 layer steel mesh–8 layers glass) hybrid composites, with an increase of 528% and 233%, respectively, compared to steel fiber reinforced epoxy composites. Similarly, BS1–E and GS1–E hybrid composites showed the highest flexural strength increase of 82.2% and 66.8%, respectively, compared to steel fiber reinforced epoxy composites. Consequently, the potential to hybridize steel fiber with glass fiber and basalt fiber could create new materials with unique physical structures and synergistic effects on mechanical properties.
Accuracy and validity of reported opioid prescription days' supply
Authors: Miracle Dustin K. , Slavova Svetla , Brown John R. , Dasgupta Nabarun , Harris Sarah , Freeman Patricia R. 
Published: August 2022

AbstractPurposeThe primary objective of this study was to estimate the percentage of opioid analgesic (OA) prescriptions dispensed by Kentucky independent pharmacies with correctly entered days' supply in the state prescription drug monitoring program (PDMP) system in 2019.MethodsUsing a two‐stage cluster design, pharmacies were sampled with probabilities proportional to the volume of dispensed OAs; 100 random OA prescriptions were sampled from PDMP records submitted by each pharmacy. Following recruitment, demographic information and hard‐copy prescription data for sampled records were abstracted on‐site. Days' supply was independently calculated by two pharmacists using a standard formula with disagreements adjudicated blindly by a third pharmacist. Adjudicated days' supply was compared with that submitted to the PDMP and classified as accurate/inaccurate. Descriptive statistics were used to characterize the sample and a multivariable logistic regression model was used to assess the relationship between accuracy and prescription/practice‐related factors.ResultsA total of 1281 OA prescriptions were reviewed at 13 participating pharmacies. Accuracy of reported OA days' supply was 89.85%, (95% CI: 86.90, 92.80). Factors associated with accuracy were presence of special instructions from the prescriber (OR 3.13 [95% CI: 1.43, 6.82]), presence of ‘as‐needed’ directions (OR 0.29 [95% CI: 0.18, 0.47]), and billing to a third‐party payer (OR 1.43 [95% CI: 1.01, 2.02]).ConclusionsAccuracy of OA days' supply reported to the state PDMP was found to be moderately high. Certain prescription‐related factors influence accuracy and should be accounted for in future studies. Patterns, including opioid ‘split‐billing’ were identified and may impact validity of PDMP and administrative claims studies.
Similar protein segments shared between domains of different evolutionary lineages
Authors: Qiu Kaiyu , Ben‐Tal Nir , Kolodny Rachel 
Published: August 2022

AbstractThe emergence of novel proteins, beyond these that can be readily made by duplication and recombination of preexisting domains, is elusive. De novo emergence from random sequences is unlikely because the vast majority of random chains would not even fold, let alone function. An alternative explanation is that novel proteins emerge by duplication and fusion of pre‐existing polypeptide segments. In this case, traces of such ancient events may remain within contemporary proteins in the form of reused segments. Together with the late Dan Tawfik, we detected such similar segments, far shorter than intact protein domains, which are found in different environments. The detection of these, “bridging themes,” was based on a unique search strategy, where in addition to searching for similarity of shared fragments, so‐called “themes,” we also explicitly searched for cases in which the sequence segments before and after the theme are dissimilar (both in sequence and structure). Here, using a similar strategy, we further expanded the search and discovered almost 500 additional “bridging themes,” linking domains that are often from ancient folds. The themes, of 20 residues or more (average 53), do not retain their structure despite sharing 37% sequence identity on average. Indeed, conformation flexibility may confer an evolutionary advantage, in that it fits in multiple environments. We elaborate on two interesting themes, shared between Rossmann/Trefoil‐Plexin‐like domains and a β‐propeller‐like domain.For a Broad AudienceA fundamental question in molecular evolution is how protein domains emerged. Similar segments shared between domains of seemingly distinct origins, may offer clues, as these may be remnants of the evolutionary process through which these domains emerged. However, finding such cases is difficult. Here, we expand the set of such cases which we curated previously, adding segments shared between domains that are considered ancient.
Contributions of the N‐terminal intrinsically disordered region of the severe acute respiratory syndrome coronavirus 2 nucleocapsid protein to RNA‐induced phase separation
Authors: Zachrdla Milan , Savastano Adriana , Ibáñez de Opakua Alain , Cima‐Omori Maria‐Sol , Zweckstetter Markus 
Published: August 2022

AbstractSevere acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) nucleocapsid protein is an essential structural component of mature virions, encapsulating the genomic RNA and modulating RNA transcription and replication. Several of its activities might be associated with the protein's ability to undergo liquid–liquid phase separation. NSARS‐CoV‐2 contains an intrinsically disordered region at its N‐terminus (NTE) that can be phosphorylated and is affected by mutations found in human COVID‐19 infections, including in the Omicron variant of concern. Here, we show that NTE deletion decreases the range of RNA concentrations that can induce phase separation of NSARS‐CoV‐2. In addition, deletion of the prion‐like NTE allows NSARS‐CoV‐2 droplets to retain their liquid‐like nature during incubation. We further demonstrate that RNA‐binding engages multiple parts of the NTE and changes NTE's structural properties. The results form the foundation to characterize the impact of N‐terminal mutations and post‐translational modifications on the molecular properties of the SARS‐CoV‐2 nucleocapsid protein.StatementThe nucleocapsid protein of SARS‐CoV‐2 plays an important role in both genome packaging and viral replication upon host infection. Replication has been associated with RNA‐induced liquid–liquid phase separation of the nucleocapsid protein. We present insights into the role of the N‐terminal part of the nucleocapsid protein in the protein's RNA‐mediated liquid–liquid phase separation.
Large half‐metallic band gap in a new series CoRhZrZ (Z = Pb, B, Ga, In, Al, Sn, Si) quaternary Heusler
Authors: Lazizi Mohamed , Mohamed Mahfoud , Mokhtari Mohamed , Dahmane Fethallah , Khenata Rabah , Zekri Noureddine 
Published: August 2022

AbstractThe structural, electronic, and magnetic properties of a new series CoRhZrZ quaternary Heusler were investigated theoretically by using the density of function theory calculation. All the compounds were found to be stable at the ferromagnetic phase. The magnetic moments of the compound show a positive value ranging from 1 to 2 μB. In addition, the electronic structure of CoRhZrSi shows a large value of the half‐metallic band gap of 0.34 eV. This reflects the high thermal stability of the compound at high temperatures and allowing for a wide range of applications of this material in varying domains, especially those requiring high thermal stability such as the oil and gas sectors, geological applications, and space applications.
Recent Applications and Trends in the Julia‐Kocienski Olefination
Authors: Rinu Pulluparambil Xavier Thresia , Radhika Sankaran , Anilkumar Gopinathan 
Published: August 2022

AbstractThe Julia‐Kocienski (J‐K) olefination is a modified version of Julia‐Lythgoe olefination. In this reaction, an aldehyde or ketone is coupled with heterocycle‐bearing sulfone in the presence of a strong base to yield alkene. It has shown wide application in the synthesis of olefinic fragments in natural product synthesis. The Julia‐ Kocienski olefination is one of the most efficient protocols for the synthesis of E‐alkenes. Nowadays, a variety of natural products were synthesised by using the Julia‐Kocienski olefination as the key step, and several developments and modifications were witnessed in this area. This review comprehends the recent developments and achievements in Julia‐Kocienski olefination along with its application in natural product synthesis covering literature from 2016 to 2021.
Immobilized Cu‐Schiff Base Complex on MCM‐41as Catalyst in the Synthesis of Benzimidazole Derivatives
Authors: Malik Arti , Singh Udai P. 
Published: August 2022

AbstractBenzimidazole derivatives were synthesized through the coupling ofO‐phenylenediamine and substituted benzaldehydes by using a heterogeneous catalyst MCM@CP@PYO@Cu, which was synthesized by anchoring the Cu‐Schiff base complex on the surface of chloro‐functionalized MCM‐41 via grafting method. FT‐IR, TGA, low angle Powder XRD, SEM, TEM, MP‐AES and N2 adsorption‐desorption analysis were used in the characterization of MCM@CP@PYO@Cu.98 % of product yield was obtained with this catalyst. The synthesized heterogeneouscatalyst can be reused up to 7 runs with insignificant change in its catalytic properties. Reusability, high surface area, low metal loading, short reaction time and good to excellent product yield are the main advantages of the present catalyst.
Polyacrylamide‐Conductive Hydrogel Modified with Regenerated Silk Fibroin Resulting in Low‐Temperature Resistance and Self‐Healing Properties for Flexible Electronic Skin
Authors: Ma Xudong , Maimaitiyiming Xieraili 
Published: August 2022

AbstractIn this work, we developed a novel method to prepare a hydrogel‐based electronic skin by self‐assembling cross‐linking. The conductive hydrogel (named PGRS) integrates multiple properties. The hydrogel has good moisture retention (70 °C, 14 days), adhesion, and high elongation (2799 %). When the hydrogel is damaged externally, it can repair itself without external stimulation. The hydrogel adheres to the skin surface and monitors large strain movements, such as finger joints, wrist joints, elbow joints, head lowering and head lifting. It can also detect small movements, such as drinking and talking. It is used as an adhesive in liquid nitrogen (−196 °C). PGRS conductive hydrogel with multiple synergistic functions. It has great potential in the direction of flexible electronic skin. It indicates that PGRS conductive hydrogels have highly prospective applications in wearable devices.
Green Catalytic Synthesis of the Pyrroles by N and P Functionalized Activated Carbon supported Ir
Authors: Fu Aixiao , Sun Mengqing , Jiang Shifeng , Xu Huanfei , Xu Guoqiang 
Published: August 2022

AbstractPyrroles are a significant class of nitrogen‐containing heterocyclic compounds and the derivatives. Here, an efficient procedure has been proposed for the loading of Ir on N, P‐doped activated carbon to exploit pyrroles are synthesized from alcohols and amino alcohols. And the optimal conversion of 1‐phenylethanol is up to 65 % with 2‐phenylpyrrole selectivity of 80 %. The good performance is attributed to the interaction between metal Ir and N, P‐doped activated carbon, which could also be confirmed from BET and XPS characterizations. What's more, the catalyst could be generally used for a range of reactions to produce pyrroles from alcohols and amino alcohols.
Prediction of Arsenic Concentration in Water Samples Using Digital Imaging Colorimetry and Multi‐Variable Regression
Authors: Sajed Samira , Kolahdouz Mohammadreza , Sadeghi Mohammad Amin 
Published: August 2022

AbstractArsenic is perhaps the most harmful components and may be found in drinking water. In this work, a convenient and low‐cost gadget is designed and connected to smartphone to predict arsenic concentration. The smartphone captures the images of color change and analyzes data in RGB color space. The color change is the result of functionalized gold nanoparticle aggregations in the presence of arsenic ions. By implementing a multi‐variable regression model, the captured data is converted into the arsenic concentration values. Under optimum analytical conditions, the proposed algorithm provides better detection limit and linearity as compared to other studies. The nanoprobe has high sensitivity to arsenic, with detection limit of 0.45 ppb at the linear range of 1–7500 ppb and a mean squared error of 0.24. The quantitative results agreed with those obtained by the reference ICP‐MS method at a 94 % confidence level and can be used for on‐site detection of low‐content arsenic ions.
An Efficient Method for Synthesis of New Tricyclic Benzimidazoles by Using Sodium Metabisulphite Adsorbed on Silica and Their Antimicrobial Studies
Authors: Kumar Manoj , Pandey Sushil K. , Khanna Leena , Mansi  , Gupta Deepshikha 
Published: August 2022

AbstractNew tricyclic benzimidazoles have been synthesized by condensation of 3,4‐dihydro‐2H‐benzo[b][1,4]oxazin‐5‐amine and different aldehydes in presence of sodium metabisulfite adsorbed on silica. The method is very efficient, and reactions are completed at room temperature with easy product isolation. The synthesized compounds showed antimicrobial potential against gram‐positive bacteria S. aureus and gram‐negative bacteria E. coli with MIC of 0.625 mg/ml for compounds 6 f (cyclohexyl substituent) and 6 h (furan substituent) and 0.312 mg/ml for compound 6 c (chlorophenyl substituent) respectively, were evaluated by Resazurin microtiter plate visual method. Molecular docking studies using Autodock 4.2 showed theoretical binding energy −6.74 to −8.32 Kcal/mol for S. aureus and −5.94 to −8.01 Kcal/mol for E. coli with PDB Id 2W9S and 2EX6 respectively.
Synthesis of Mesoporous Fe/N/C Electrocatalyst for Improved Oxygen Reduction Reaction Activity Through CO2‐Assisted Pyrolysis
Authors: Rauf Muhammad , Wang Jingwen , Handschuh‐Wang Stephan , Iqbal Waheed , Khan Muhammad Ali , Khan Sayed Ali , Li Yongliang 
Published: August 2022

AbstractFe/Nx/C electrocatalysts have appeared as one of the promising non‐platinum group metal (non‐PGM) electrocatalysts for oxygen reduction reaction (ORR) in energy conversion devices. These non‐PGM electrocatalysts Fe/N/C need structural tuning of pores to improve the surface area for high‐performance ORR in proton exchange membrane fuel cells. In this report, the specific surface area of poly‐melamine‐formaldehyde (PMF)‐based Fe/N/C electrocatalysts was enhanced without using a template through simple CO2‐assisted pyrolysis. The highly porous electrocatalyst exhibited an onion‐like graphitic structure and an efficient catalytic activity for ORR, comparable to Pt/C electrocatalyst. At 0.95 VRHE, the mass activity of the PMF‐based PMF−Fe/N/C‐CO2/Ar electrocatalyst was 63 % that of a commercial Pt/C electrocatalyst. Moreover, the devised fabrication process for the PMF−Fe/N/C electrocatalysts with a high specific surface area can be readily scaled up.
Impacts, causes, and solutions of architectural smells in microservices: An industrial investigation
Authors: Zhong Chenxing , Huang Huang , Zhang He , Li Shanshan 
Published: August 2022

AbstractAs a recently predominant architecture style, MicroService Architecture (MSA) is likely to suffer the issues of poor maintainability due to inappropriate microservice boundaries. Architectural Smell (AS), as a metaphor for potential architectural issues that may have negative impacts on software maintenance, can be used to pinpoint refactoring opportunity for evolving microservice boundary. However, existing studies mostly focus on AS detection with little further investigation on the possible impacts, causes, and solutions of AS, which does little help in addressing the bad smells in architecture. Our goal in this study is to bridge this gap by investigating the possible impacts, causes, and solutions of AS in MSA‐based systems. An industrial case study is carried out to collect repository data and practitioners' views on six typical ASes in a real MSA‐based telecommunication system. Statistical Analysis and Coding techniques are used in the analyses of quantitative and qualitative data respectively. The results show that AS influences the modularity, modifiability, analyzability, and testability of the MSA‐based system, which further induce extra cross‐team communication, change‐ and fault‐prone microservices. To explore the causes for AS, a five‐aspect conceptual classification with technology, project, organization, business, and professional is proposed, in which the business and organization aspects take the major roles. Both technical and non‐technical solutions are distilled to deal with ASes despite potential constraints. These results and their comparison to current literature are discussed, which provide practical implications in coping with AS in microservices.
Change‐point analysis when proportional hazards are violated: Time‐to‐decannulation among paediatric tracheostomy patients
Authors: Minard Charles G. , Guffey Danielle 
Published: August 2022

AbstractThe Cox proportional hazards regression model is commonly used to measure relative associations between independent variables and time until a well‐defined event in the presence of censored event times. A requisite assumption of this model is that the relative hazards are constant over time. That is, it is assumes that for two different specifications of covariates, the relative ratio of the hazard rates is constant over the time of interest. Although this assumption is generally robust to deviations, interpretation of model results may be misleading and invalid when this assumption is substantially violated. A single point in time where the relative hazard ratios change significantly is known as a change‐point. Estimating the change‐point may be clinically or scientifically important and can be used for stratified analysis. This paper describes common methods for testing the proportional hazards assumption, estimating the change‐point, and conducting a stratified analysis. Methods are illustrated through an analysis on time‐to‐decannulation among paediatric tracheostomy patients.
Addressing Key Challenges in Fermentative Production of Xylitol at Commercial Scale: A Closer Perspective
Authors: Ravella Sreenivas Rao , Warren-Walker David J. , Gallagher Joe , Winters Ana , Bryant David N. 
Published: August 2022

AbstractXylitol has been recognized by the US Department of Energy (DOE) as one of the top 12 value-added chemicals obtained from biomass, with a world market of 200,000 tonnes per year. The global xylitol market is expected to reach a value of US$ 1 Billion by 2026 growing at a compound annual growth rate (CAGR) of 5.8% during 2021–2026. Historically, the commercial xylitol production process has been dependent on the chemical hydrogenation of xylose. Several xylitol production plants, mainly in China that use the chemical process have had to reduce their production capacity to address regulations governing sustainability and environmental standards. In this chapter, key challenges and possible solutions for fermentative xylitol production at commercial scale are discussed in terms of: (1) Feedstock supply for commercial production plants; (2) Industrial biomass pretreatment; and (3) Lessons learned from industrial operations. These are drawn together to identify technology gaps and scaling-up challenges in light of the capital expenditure required to build a state-of-the art xylitol industrial biotechnology (IB) production facility and the potential to reduce climate change impact and contribute towards achieving net-zero targets.