bluuebunny/crossref_metadata_2025_split huggingface dataset:
Physicochemical Properties of Purified Biodiesel Based on Oil Recovered from Catfish (Ictalurus punctatus) Viscera
Authors: Mis Solval Kevin , Chouljenko Alexander , Theegala Chandra , Sathivel Subramaniam 
Published: January 2021

AbstractThe effects of neutralization, transesterification, and adsorption on the physicochemical properties of fatty acid methyl esters (FAME) obtained from crude catfish oil (CO) were investigated. CO was recovered from catfish viscera and subjected to: neutralization (NCO) with 20 (g/100 g) NaOH solution, transesterification (BIO) with methyl alcohol (1:6 molar ratio, oil: alcohol) and 1 (g/100 g) (w/w) NaOH, and purification by adsorption (PBIO) with activated earth (10 g/100 g of BIO). CO, NCO, BIO, and PBIO were evaluated for FAME, free fatty acids (FFA), peroxide value (PV), cloud and flash points, free and total glycerin, rheological properties, and minerals. Catfish viscera had a lipid content of 28.5 g/100 g (wet basis), of which 20.9 g were recovered as CO (73.33% yield). Furthermore, 84.67 g of NCO, 77.53 g of BIO, and/or 60.22 g of PBIO were produced from 100 g of CO processed. NCO had significantly (P < 0.05) lower FFA, density, cloud point, flash point, and diacylglycerols content than CO. Meanwhile, PBIO had significantly (P < 0.05) lower PV and cloud points when compared to BIO. CO, NCO, BIO, and PBIO behaved as Newtonian fluids at 25 °C. BIO and PBIO adhere to the american society for testing and materials (ASTM) biodiesel standards for FAME, moisture, density, cloud point, free and total glycerin, Na, P, and S. This study demonstrated the feasibility of converting high‐viscosity CO into low‐viscosity PBIO with promising physicochemical attributes. PBIO has the potential to serve as a viable alternative biofuel.
Printability, shape‐memory, and mechanical properties of PHB/PCL/CNFs composites
Authors: Yue Chengbin , Hua Mengqing , Li Heqian , Liu Yingtao , Xu Min , Song Yongming 
Published: January 2021

AbstractShape‐memory polymers have attracted attention as smart implant materials in recent years because they are lightweight, low‐cost, easily processable, and because they undergo large deformation. Here, cellulose nanofibers (CNFs) were used as a reinforcement for polyhydroxybutyrate (PHB)/polycaprolactone (PCL) composites to improve mechanical properties. The composites were investigated by rheological tests, differential scanning calorimetry, dynamic mechanical analysis, mechanical property tests, and shape‐memory tests. The printability of PHB/PCL/CNFs composites was demonstrated by using them to print interconnected porous structures with a gyroid surface. The results showed that the PHB/PCL (80:20) composites with 1 wt% CNF displayed the best comprehensive mechanical and shape‐memory properties. As a functional verification, a model of the self‐opening hand was fabricated by 3D printing, and its deformation and recovery capabilities were evaluated.
The Development of Guidance for Responding to Disclosure of Non‐recent Child Sexual Abuse within a Large Provider of Health Services for Adults and Children
Authors: Hindley Nick , Lord Lisa 
Published: January 2021

In a large community health organisation, following high‐profile cases of non‐recent (historical) child sexual abuse, there was an increase in such disclosures and in uncertainties voiced by clinicians, both medical and non‐medical, about the most appropriate response to them. Practitioners within the safeguarding children team realised that there was little clear practice guidance available on this subject. This paper explores the process of how guidance for responding to disclosure of non‐recent child sexual abuse was developed and how, in the face of initial considerable anxiety and concern from clinicians, successful implementation was ultimately achieved.‘This paper explores the process of how guidance for responding to disclosure of non‐recent child sexual abuse was developed’Key Practitioner MessagesAddressing non‐historic disclosure of sexual abuse:

Is complex and requires flexibility of approach from professionals at the time of disclosure and subsequently.
Should wherever possible include the wishes of the individual making the disclosure but may require additional professional decisions to prevent harm to others.
Requires appreciation of the perspectives of professionals from different disciplines and agencies.
Requires clear process and good senior, interagency working relationships if resolution of complex dilemmas is to be achieved.
Enhancement of resistant starch content in modified rice flour using extrusion technology
Authors: Gulzar Beenish , Hussain Syed Zameer , Naseer Bazila , Naik Haroon Rashid 
Published: January 2021

AbstractBackground and objectivesThe present study was conducted with an aim to modify rice flour for enhancement of resistant starch content using extrusion technology. The effects of feed moisture, barrel temperature, and screw speed on resistant starch (RS), predicted glycemic index (pGI), glycemic load (GL), and instrumental color (L*, a*, and b* values) were investigated using response surface methodology.FindingsRS, pGI, GL, L*, a*, and b* varied between 4.91%–6.83%, 73.20–76.90, 48.0–53.04, 70.43–85.95, 6.92–10.32, and 15.09–30.81, respectively. Models obtained for these parameters were highly significant (p ≤ .0028). Significantly (p < .05) higher RS content (6.20%) and lower pGI and GL values (75.10 and 50, respectively) were recorded in modified rice flour (MRF) as compared to native rice flour (NRF). Lower values of pasting properties and higher thermal properties were recorded in MRF than NRF. Scanning electron micrographs showed continuous and dense network structures in MRF, whereas ungelatinized granules were evident in NRF.ConclusionExtrusion processing caused significant changes in the digestibility of rice flour which increased the RS content and decreased the pGI in MRF. 30% moisture content, 140°C barrel temperature, and 70 rpm screw speed were found most feasible conditions to enhance RS content in MRF.NoveltyThe extrusion of rice flour without a die proved to be a unique way to produce pregelatinized rice flour with higher RS and lower pGI. MRF can be explored for development of functional foods especially for diabetic and celiac disease patients.
Syngas Production from Electrochemical CO2 Reduction on Copper Oxide Electrodes in Aqueous Solution
Authors: Yao Xi , Guo Yafei , Liu Bingqian , Wang Puyao , Sun Jian , Li Weiling , Zhao Chuanwen 
Published: January 2021

AbstractElectrochemical CO2 reduction to value‐added chemicals and fuels using renewable energy represents a promising strategy for reducing CO2 emissions and achieving effective energy storage. In this work, nano‐sized CuO catalysts were prepared by using the homogeneous precipitation method for electrochemical CO2 reduction to CO. The CO2 reduction studies combined with the characterization results show that structure‐activity relationships of the CuO catalysts depend on the calcination temperature. The as‐synthesized CuO catalysts calcined at different temperatures are capable of reducing CO2 to generate syngas with tunable CO/H2 ratios of 1 : 2 to 2 : 1. The desired CuO‐400 catalyst exhibits good morphology, small particle size, and enriched oxygen‐vacancy defects and, therefore, shows good performance for electrochemical CO2 reduction to CO. Under the given potential of −0.93 V vs. RHE, CuO‐400 exhibits good reduction activity and selectivity with a great electrochemically active surface area normalized CO partial current density of 1.44 mA/cm2 and a high CO faradaic efficiency of 48.2 %. The deactivation of CuO‐400 in the long‐term test is associated with the increase in particle size, the reduction of CuO to Cu2O and metallic Cu, and the coverage of surface active sites by the formed carbonate species. Our findings indicate that CuO catalysts with tunable physicochemical properties are promising candidates for electrochemical CO2 reduction to produce syngas.
Bicyclic Phenyl–Ethynyl Architectures: Synthesis of a 1,4‐Bis(phenylbuta‐1,3‐diyn‐1‐yl) Benzene Banister
Authors: Bannwart Linda Maria , Müntener Thomas , Rickhaus Michel , Jundt Lukas , Häussinger Daniel , Mayor Marcel 
Published: January 2021

AbstractThe novel diacetylene bridged terphenylic macrocycle 1 is presented and discussed in the context of rotationally restricted “Geländer” oligomers. The 1,4‐bis(phenylbuta‐1,3‐diyn‐1‐yl) benzene bridge of diacetylene 1 is significantly longer than its terphenyl backbone, forcing the bridge to bend around the central pylon. The synthesis of molecule 1 is based to a large extent on acetylene scaffolding strategies, profiting from orthogonal alkyne protection groups to close both macrocyclic subunits by oxidative acetylene coupling sequentially. The spatial arrangement and the dynamic enantiomerization process of the bicyclic target structure 1 are analyzed. In‐depth NMR investigations not only reveal an unexpected spatial arrangement with both oligomer strands bent alongside the backbone, but also display the limited stability of the model compound in the presence of molecular oxygen.
5‐Methylcytosine Substantially Enhances the Thermal Stability of DNA Minidumbbells
Authors: Wan Liqi , Yi Jie , Lam Sik Lok , Lee Hung Kay , Guo Pei 
Published: January 2021

AbstractMinidumbbell (MDB) is a recently identified non‐B DNA structure that has been proposed to associate with genetic instabilities. It also serves as a functional structural motif in DNA nanotechnology. DNA molecular switches constructed using MDBs show instant and complete structural conversions with easy manipulations. The availability of stable MDBs can broaden their applications. In this work, we found that substitutions of cytosine with 5‐methylcytosine could lead to a significant enhancement in the thermal stabilities of MDBs. Consecutive methylations of cytosine in MDBs brought about cumulative stabilization with a drastic increase in the melting temperature by 23 °C. NMR solution structures of two MDBs containing 5‐methylcytosine residues have been successfully determined and revealed that the enhanced stabilities resulted primarily from favorable hydrophobic contacts, more stable base pairs and enhanced base‐base stackings involving the methyl group of 5‐methylcytosine.
Altered Membrane Mechanics Provides a Receptor‐Independent Pathway for Serotonin Action
Authors: Dey Simli , Surendran Dayana , Engberg Oskar , Gupta Ankur , Fanibunda Sashaina E. , Das Anirban , Maity Barun Kumar , Dey Arpan , Visvakarma Vicky , Kallianpur Mamata , Scheidt Holger A. , Walker Gilbert , Vaidya Vidita A. , Huster Daniel , Maiti Sudipta 
Published: January 2021

AbstractSerotonin, an important signaling molecule in humans, has an unexpectedly high lipid membrane affinity. The significance of this finding has evoked considerable speculation. Here we show that membrane binding by serotonin can directly modulate membrane properties and cellular function, providing an activity pathway completely independent of serotonin receptors. Atomic force microscopy shows that serotonin makes artificial lipid bilayers softer, and induces nucleation of liquid disordered domains inside the raft‐like liquid‐ordered domains. Solid‐state NMR spectroscopy corroborates this data at the atomic level, revealing a homogeneous decrease in the order parameter of the lipid chains in the presence of serotonin. In the RN46A immortalized serotonergic neuronal cell line, extracellular serotonin enhances transferrin receptor endocytosis, even in the presence of broad‐spectrum serotonin receptor and transporter inhibitors. Similarly, it increases the membrane binding and internalization of oligomeric peptides. Our results uncover a mode of serotonin–membrane interaction that can potentiate key cellular processes in a receptor‐independent fashion.
Biomass‐derived Graphene‐like Catalyst Material for Oxygen Reduction Reaction
Authors: Kaare Kätlin , Yu Eric , Käämbre Tanel , Volperts Aleksandrs , Dobele Galina , Zhurinsh Aivars , Niaura Gediminas , TamasauskaiteTamasiunaite Loreta , Norkus Eugenijus , Kruusenberg Ivar 
Published: January 2021

AbstractA novel and sustainable method was established to prepare a nitrogen doped graphene‐like material from a renewable, secondary raw material with potential application in the catalysis of oxygen reduction reaction (ORR). Alder wood char was used as a precursor material for producing a sustainable graphene‐like carbon catalyst for the ORR. Alder wood char was first activated (AWC) and then doped with nitrogen (N−AWC). The graphene‐like structure was confirmed using transmission electron microscopy (TEM) and Raman spectroscopy. Electrochemical characterization was carried out in 0.1 M KOH, showing that in alkaline media the ORR activity of the N‐doped wood char‐based graphene‐like material is superior compared to non‐sustainable commercial N‐doped graphene. The onset potential of the ORR on N‐AWC was shifted to positive direction by 75 mV in comparison to the commercially available nitrogen‐doped graphene and the half‐wave potential was shifted even by 239 mV. This renewable biomass‐derived graphene‐like carbon catalyst shows a great potential alternative to current synthetic graphite, graphene nanoplatelets and graphene materials in areas such as fuel cells and batteries.
Single‐Dose Pharmacokinetics and Safety of Atogepant in Adults With Hepatic Impairment: Results From an Open‐Label, Phase 1 Trial
Authors: Boinpally Ramesh , Jakate Abhijeet , Butler Matthew , Borbridge Lisa , Periclou Antonia 
Published: January 2021

AbstractAtogepant is a selective oral calcitonin gene‐related peptide receptor antagonist in development for migraine prevention. Here, we report the pharmacokinetics (PK) and safety of single‐dose 60 mg atogepant in participants with severe, moderate, or mild hepatic impairment and matched participants with normal hepatic function from an open‐label, parallel‐group, single‐dose phase 1 trial. Thirty‐two participants aged 45 to 72 years were enrolled, which included 8 each with severe, moderate, mild, or no hepatic impairment. All participants completed the study. Atogepant was rapidly absorbed (median time to maximum plasma concentration, ∼2 hours) with an apparent terminal elimination half‐life of ∼11 hours. Compared with participants with normal hepatic function, the change in maximum plasma concentrations of atogepant were –4%, –12%, and +9% in participants with severe, moderate, or mild hepatic impairment, respectively. Overall systemic exposures to atogepant were 15% to 38% higher in participants with hepatic impairment compared with those with normal hepatic function, but these differences are not expected to be clinically relevant given the established safety profile of atogepant. Only 1 adverse event was reported: mild rhinorrhea in a participant with moderate hepatic impairment. Overall, atogepant was safe and not associated with any clinically relevant change in PK in participants with severe, moderate, or mild hepatic impairment.
Experimental Quantum Chemistry: A Hammett‐inspired Fingerprinting of Substituent Effects
Authors: Sessa Francesco , Olsson Martina , Söderberg Fredrik , Wang Fang , Rahm Martin 
Published: January 2021

AbstractThe quantum mechanically calculable Q descriptor is shown to be a potent quantifier of chemical reactivity in complex molecules – it shows a strong correlation to experimentally derived field effects in non‐aromatic substrates and Hammett σm and σp parameters. Models for predicting substituent effects from Q are presented and applied, including on the elusive pentazolyl substituent. The presented approach enables fast computational estimation of substituent effects, and, in extension, medium‐throughput screening of molecules and compound design. An experimental dataset is suggested as a candidate benchmark for aiding the general development and comparison of electronic structure analyses. It is here used to evaluate the experimental quantum chemistry (EQC) framework for chemical bonding analysis in larger molecules.
Conformational Preferences of Cyclopentane‐Based Oligo‐δ‐peptides in the Gas Phase and in Solution
Authors: Park Hae Sook , Kang Young Kee 
Published: January 2021

AbstractThe conformational preferences of oligomers of δ‐amino acid (δAc5a) with a cyclopentyl constraint in the Cβ−Cγ bond of the backbone were investigated by using DFT methods in the gas phase and in solution. The folded structures with C10 H‐bonded pseudocycles were most preferred for dimer and tetramer of δAc5a residues both in chloroform and water. However, for the hexameric Ac‐(δAc5a)6‐NHMe, the mixed H16/14 helical structure was found to be most preferred in chloroform (populated at 68 %), whereas the H14 helical structure was the most dominant conformation in water (populated at 60 %). The stability of the former was ascribed to the intrinsic conformational energy, whereas the solvation free energy was crucial to stabilize the latter. Pyrrolidine‐substituted analogues of the hexameric Ac‐(δAc5a)6‐NHMe, with adjacent amine diads that are almost exactly one turn apart with two nitrogen atoms separated by ca. 5.5 Å, adopted helical structures. They are potential catalysts in nonpolar and polar solvents as they have similar structures to a helical 1 : 2 α:β‐heptapeptide that exhibited good catalytic performance in the crossed aldol condensation.
Match and mismatch: Integrating consumptive effects of predators, prey traits, and habitat selection in colonizing aquatic insects
Authors: Pintar Matthew R. , Resetarits William J. 
Published: January 2021

AbstractPredators are a particularly critical component of habitat quality, as they affect survival, morphology, behavior, population size, and community structure through both consumptive and non‐consumptive effects. Non‐consumptive effects can often exceed consumptive effects, but their relative importance is undetermined in many systems. Our objective was to determine the consumptive and non‐consumptive effects of a predaceous aquatic insect,Notonecta irrorata, on colonizing aquatic beetles. We tested howN. irrorataaffected survival and habitat selection of colonizing aquatic beetles, how beetle traits contributed to their vulnerability to predation byN. irrorata, and how combined consumptive and non‐consumptive effects affected populations and community structure. Predation vulnerabilities ranged from 0% to 95% mortality, with size, swimming, and exoskeleton traits generating species‐specific vulnerabilities. Habitat selection ranged from predator avoidance to preferentially colonizing predator patches. Attraction of Dytiscidae toN. irroratamay be a natural ecological trap given similar cues produced by these taxa. Hence, species‐specific habitat selection by prey can be either predator‐avoidance responses that reduce consumptive effects, or responses that magnify predator effects.Notonecta irroratahad both strong consumptive and non‐consumptive effects on populations and communities, while combined effects predicted even more distinct communities and populations across patches with or without predators. Our results illustrate that an aquatic invertebrate predator can have functionally unique consumptive effects on prey, attracting and repelling prey, while prey have functionally unique responses to predators. Determining species‐specific consumptive and non‐consumptive effects is important to understand patterns of species diversity across landscapes.
Application of Bayesian networks in evaluation of current status and protection of Pulsatilla patens (L.) Mill.
Authors: Sienkiewicz Aneta , Łaska Grażyna 
Published: January 2021

AbstractUnderstanding of the impact of environmental factors on endangered plant species provides a basis for assessment of the risk of their extinction in the near future. Of particular importance is the search for optimal environmental conditions to preserve the continued existence of endangered taxa. Thus, there is a need for a method based on mathematical modeling to connect the current status of an endangered plant species with changing environmental conditions. Using the basics of decision theory, we developed a mathematical model to assess the influence of changing habitat conditions on the current status and protection of Pulsatilla patens (L.) Mill., an endangered plant species in Europe, as an example. The mathematical model was based on the data from 43 sites in the 3 largest forest complexes in NE Poland from 2011 to 2014 (29 attributes, 1566 records). The graphical model showing significant cause‐and‐effect relations between morphological‐developmental features of individuals, demographic features of the populations, and physicochemical properties of the soil was built using the Bayesian networks in GeNIe 2.0 (University of Pittsburgh, Pittsburgh, Pennsylvania, USA). In the process of modeling with the Bayesian Search Algorithm, we also performed simulation, prediction, and optimization of the effects of selected environmental factors on growth and development of the endangered taxon. The diagnostic testing and sensitivity analysis revealed that the degree of soil acidification is the major variable determining the size of populations (number of individuals), developmental phase (juvenile, vegetative, flowering), and size of the individuals (height and diameter of ground rosette). Using the approach presented in this work, it was possible to identify a new habitat factor not known to be important at multiple scales for growth, development, and population dynamics of P. patens. The validation showed that the developed model is the most effective for evaluation of the impact of habitat conditions on the population features important for reproduction of this taxon. Therefore, the model proposed is recommended as a tool to support decision‐making aimed at conservation planning of the endangered plant species.
An Adaptive Resorcinarene Hemicarcerand
Authors: Danielsiek Dominic , Dyker Gerald 
Published: January 2021

AbstractA new resorcinarene‐based hemicarcerand was developed, exhibiting pronounced flexibility in size and shape to accommodate several guest molecules. With a series of seven hemicarceplexes, investigated via single‐crystal XRD, the cage molecule showed to align its guests to complement their electrostatic potentials and to adjust its dimensions, according to the guest molecule‘s demand. Though forming equimolar inclusion complexes with most guests, crystallization from chloroform, and benzonitrile produced hemicarceplexes with a guest/host ratio of 2 : 1, exhibiting packing coefficients as high as 91 %. In competition experiments, the hemicarcerand clearly favors p‐xylene over m‐xylene: The host shows to crystallize, solely incarcerating p‐xylene from a 1 : 1 mixture of the two xylenes, and also isolates p‐xylene from the mixture via amorphous precipitation.