bluuebunny/crossref_metadata_2025_split huggingface dataset:
Automated qualitative and quantitative analysis of complex forensic drug samples using 1H NMR
Authors: Mehr S. Hessam M. , Tang Aaron W. , Laing Richard R. 
Published: March 2022

AbstractProgress in high‐resolution nuclear magnetic resonance (NMR) instrumentation has enabled fast and accurate acquisition of quantitative 1H NMR (qNMR) data, but analyzing complex forensic drug samples in the presence of significant peak overlap remains challenging. This limitation has hampered the adoption of 1H NMR in areas such as traditional medicine and law enforcement. We present the NMRquant algorithm, which can detect and quantitate compounds of interest within forensic mixed drug samples even when there is overlap between chemical shift regions. Our algorithm is robust against variations in chemical shift resulting from temperature, concentration, and inter‐analyte interactions. We have integrated these desirable features into an automated workflow, enabling routine unattended proton qNMR analysis of forensic drug samples.
The case for metagovernance: The promises and pitfalls of multisectoral nutrition service delivery structures in low‐ and middle‐income countries
Authors: Fox Ashley , Law Jennie R. , Baker Keith 
Published: March 2022

AbstractWhile cross‐sector collaborations can create effective governance mechanisms for multi‐sectoral issues, little attention has been paid to how these arrangements operate in low‐ and middle‐income countries (LMICs), where state capacity is weak and the international donor sector is influential. A case study of the Scaling Up Nutrition (SUN) collaborative governance platform in Senegal is presented to explore how tensions between actors can be managed and how power is exercised through metagovernance. Through in‐depth interviews with policy actors (N = 30), network mapping of ties and activities among actors and document review, the study identifies challenges and opportunities for multi‐sectoral nutrition governance. The study identifies several challenges specific to scaling up multi‐sectoral policies including the relative power of non‐state actors, duplication of efforts and a lack of incentives for multisectoral collaboration across different sectors within government. The article concludes that to ensure democratic governance, government must be capable of metagovernance.
Mussel‐inspired chitosan‐based hydrogel sensor with pH‐responsive and adjustable adhesion, toughness and self‐healing capability
Authors: Quan Lin , Tie Jianfei , Wang Yamei , Mao Zhiping , Zhang Linping , Zhong Yi , Sui Xiaofeng , Feng Xueling , Xu Hong 
Published: March 2022

AbstractConductive hydrogels with adhesion, toughness and self‐healing properties have attracted more and more attention due to their wide application in wearable devices and health monitoring. However, integrating adhesion, toughness and self‐healing properties into a hydrogel remains a serious challenge. Herein, we prepared an ionic conductive hydrogel using Fe3+ ion, tert‐butyl acetoacetate‐modified polyvinyl alcohol (PVAA) and catechol‐modified chitosan (CCS) based on mussel inspired catechol chemistry. The adhesion, toughness and self‐healing properties of the hydrogel could be easily regulated. The prepared hydrogel had excellent adhesion properties (102 kPa), rapid self‐healing properties (5 min at room temperature), pH responsiveness and toughness up to 1386 kJ/m3. Therefore, the hydrogel could be used as a wearable sensor to detect human movement, and it could also be used as a bioelectrode to collect electrocardiographic signal (ECG). It might not only show great potential in applications such as wearable devices and health monitoring, but also promote the development of next‐generation adhesive hydrogel bioelectronic devices.
The influence of fabric architecture on impregnation behavior and void formation: Artificial neural network and statistical‐based analysis
Authors: Monticeli Francisco M. , Almeida José Humberto S. , Neves Roberta M. , Ornaghi Heitor L. , Trochu François 
Published: March 2022

AbstractThis work proposes an approach combining artificial neural networks (ANN) with statistical models to predict injection processing conditions for four reinforcement architectures: plain weave, bidirectional noncrimp fabrics, unidirectional fabrics (Uni) and random fiber mats (Random). Key results allow evaluating the velocity of the flow front by combining processing parameters and creating a three‐dimensional response surface based on a properly trained ANN. This investigation is based on a large number of experimental results. The key role played by some physical parameters was associated with predicting the impregnation behavior (velocity of the flow front) during resin injection. The main outcome aims to provide a better control of void content in terms of size and position to the four fibrous reinforcements considered.
RNA sequencing role and application in clinical diagnostic
Authors: Peymani Fatemeh , Farzeen Aiman , Prokisch Holger 
Published: March 2022

ABSTRACTAlthough whole‐exome sequencing and whole‐genome sequencing has tremendously improved our understanding of the genetic etiology of human disorders, about half of the patients still do not receive a molecular diagnosis. The high fraction of variants with uncertain significance and the challenges of interpretation of noncoding variants have urged scientists to implement RNA sequencing (RNA‐seq) in the diagnostic approach as a high throughput assay to complement genomic data with functional evidence. RNA‐seq data can be used to identify aberrantly spliced genes, detect allele‐specific expression, and identify gene expression outliers. Amongst eight studies utilizing RNA‐seq, a mean diagnostic uplift of 15% has been reported. Here, we provide an overview of how RNA‐seq has been implemented to aid in identifying the causal variants of Mendelian disorders.
Genotypic variability in root length in pea (Pisum sativum L.) and lentil (Lens culinaris Medik.) cultivars in a semi‐arid environment based on mini‐rhizotron image capture
Authors: Bourgault Maryse , Lamb Peggy , McPhee Kevin , McGee Rebecca J. , Vandenberg Albert , Warkentin Tom 
Published: March 2022

AbstractPhysiological breeding is an approach that complements conventional breeding by providing characterizations of traits present in breeding populations. This allows breeders the ability to choose crosses based on desirable and adaptive traits, an approach that may be more reliable than selection on yield alone. In this study, we determined how much genotypic variability was present in selected lines of modern field pea (Pisum sativum L.) and lentil (Lens culinaris Medik.) cultivars from Montana, North Dakota, Washington, and Saskatchewan, Canada, and if root growth, particularly at depth, improves the fitness of lines to semi‐arid environments. We conducted experiments at the Northern Agricultural Research Center of Montana State University from 2017 to 2019 inclusively to investigate root growth with mini‐rhizotrons in 29 field pea lines and 25 lentil lines. Results suggest there is large genotypic variability in root length across the soil profile and the proportion of root length found below 30 cm in both crops, and these root traits appear independent of each other. In field pea, the highest yielding cultivars were intermediary in both total root length and the proportion of root length below 30 cm, suggesting large root systems and/or deeper root profiles are not necessarily beneficial in this environment. By contrast, in lentil, total root length and root length found below 30 cm was well correlated with biomass and yield. For breeders interested in in improved adaptation to semi‐arid environments, it may be too early to optimize root systems, and above‐ground traits may still yield a better return on investment.
Scoring of protein–protein docking models utilizing predicted interface residues
Authors: Pozzati Gabriele , Kundrotas Petras , Elofsson Arne 
Published: March 2022

AbstractScoring docking solutions is a difficult task, and many methods have been developed for this purpose. In docking, only a handful of the hundreds of thousands of models generated by docking algorithms are acceptable, causing difficulties when developing scoring functions. Today's best scoring functions can significantly increase the number of top‐ranked models but still fail for most targets. Here, we examine the possibility of utilizing predicted interface residues to score docking models generated during the scan stage of a docking algorithm. Many methods have been developed to infer the regions of a protein surface that interact with another protein, but most have not been benchmarked using docking algorithms. This study systematically tests different interface prediction methods for scoring >300.000 low‐resolution rigid‐body template free docking decoys. Overall we find that contact‐based interface prediction by BIPSPI is the best method to score docking solutions, with >12% of first ranked docking models being acceptable. Additional experiments indicated precision as a high‐importance metric when estimating interface prediction quality, focusing on docking constraints production. Finally, we discussed several limitations for adopting interface predictions as constraints in a docking protocol.
Novel sustainable strategies to control Plasmopara viticola in grapevine unveil new insights on priming responses and arthropods ecology
Authors: Giudice Gaetano , Moffa Loredana , Niero Marina , Duso Carlo , Sandrini Marco , Vazzoler Loris Francesco , Luison Massimiliano , Pasini Enrico , Chitarra Walter , Nerva Luca 
Published: March 2022

AbstractBACKGROUNDReduction of fungicide consumption in agriculture is globally recognized as a priority. Government authorities are fostering research to achieve a reduction of risks associated with conventional pesticides and promoting the development of sustainable alternatives. To address these issues, in the present study, alternative protocols for the control of downy mildew infection in grapevine were compared to the standard protocol. In the first protocol, only resistance inducers were used, comprising a single formulation with Acibenzolar S‐methyl, laminarin and disodium‐phosphonate. The second and third protocols followed the standard protocol but substituted phosphonates with phosphorus pentoxide and Ecklonia maxima extract.RESULTSThe results showed that at veraison downy mildew incidence and severity in all tested protocols were significantly reduced compared to nontreated controls on both canopy and bunches. Expression analysis of key genes involved in plant stress response, indicated that the two protocols for phosphites substitution induced a remodulation of salicylic acid (SA) and jasmonic acid (JA), with positive impact on yields. Analysis of the first protocol revealed that the primed state induced a short delay in bunch ripening, with a shift of carbohydrate metabolism to boost the plant defences, involving an upregulation of defence related‐gene, SAR response and a decreased ROS detoxification. Additionally, analysis on the arthropods populations, in parallel with the positive results achieved using alternatives to conventional fungicides, were enriched by those showing the potential of naturally occurring predators of spider mites.CONCLUSIONThis study provides practical solutions to reduce the environmental impact of treatments for the control downy mildew in viticulture. © 2022 Society of Chemical Industry.
Structural defects in graphene quantum dots: A review
Authors: Rabeya Ramisha , Mahalingam Savisha , Manap Abreeza , Satgunam Meenaloshini , Akhtaruzzaman Md. , Chia Chin Hua 
Published: March 2022

AbstractGraphene quantum dots (GQDs) are known for their low toxicity, strong fluorescence, high surface area, large solubility, and tunable band gaps. However, the change in their properties depends on the preparation processes of GQDs. Thus, certain types of preparation lead to certain defects, such as surface defect, edge defects, Stone–Wales defect. These structural defects are responsible for hindering GQDs to possess their regular shape that affects the morphological properties of GQDs. Thus, the optical and electrical properties get affected. The GQDs, which are synthesized via acidic methods are generally more vulnerable to defects compared to those synthesized using eco‐friendly methods. Thereby, the aim of this review is to discuss the causes of structural defects. Moreover, it focuses on how they affect the properties of GQDs and to what extent they affect them. The processes of regulating defects have been elucidated so that more efficient applications can be designed using GQDs with controlled amounts of defects.
Ultrafast and Irreversibly Thermochromic SiO2‐PC/PEG Double Layer for Green Thermal Printing
Authors: Zhang Xin , Ran Yumei , Fu Qianqian , Ge Jianping 
Published: March 2022

AbstractTraditional thermochromic photonic crystal (PC) usually has a slow and reversible thermal response, which limits its application in thermal printing. Here, the authors develop a thermochromic “SiO2‐PC/PEG” double layer structure with a responding time of milliseconds for fast thermal printing. Controlled by the print‐head, the polyethylene glycol (PEG) melts, infiltrates, and solidifies within the interparticle voids, which instantly and irreversibly changes the refractive index and produces the PC pattern. Multicolor printing can be realized by tuning the size and type of colloidal particles. Resolution as high as 300 DPI is achieved to print the high‐resolution patterns and then the grayscale patterns based on the control of pixel densities. Different from fiber thermal paper, the “SiO2‐PC/PEG” film has no toxic bisphenol A and possesses superior light stability for keeping the images longer. It is fully compatible with the commercial printer, which provides a mature solution for fast and convenient preparation of PC patterns.
Fabrication, Flow Assembly, and Permeation of Microscopic Any‐Shape Particles
Authors: Lüken Arne , Stüwe Lucas , Rauer Sebastian Bernhard , Oelker Jesco , Linkhorst John , Wessling Matthias 
Published: March 2022

AbstractToday, millimeter‐sized nonspherical any‐shape particles serve as flexible, functional scaffold material in chemical and biochemical reactors tailoring their hydrodynamic properties and active surface‐to‐volume ratio based on the particle's shape. Decreasing the particle size to smaller than 100 μm would be desired as it increases the surface‐to‐volume ratio and promotes a particle assembly based on surface interactions, allowing the creation of tailored self‐assembling 3D scaffolds. This study demonstrates a continuous high‐throughput fabrication of microscopic 3D particles with complex shape and sub‐micron resolution using continuous two‐photon vertical flow lithography. Evolving from there, in‐channel particle fabrication into a confined microfluidic chamber with a resting fluid enables the precise fabrication of a defined number of particles. 3D assemblies with various particle shapes are fabricated and analyzed regarding their permeability and morphology, representing convective accessibility of the assembly's porosity. Differently shaped particles highlight the importance of contact area regarding particle–particle interactions and the respective hydraulic resistance of an assembly. Finally, cell culture experiments show manifold cell–particle interactions promising applicability as bio‐hybrid tissue. This study pushes the research boundaries of adaptive, responsive, and permeable 3D scaffolds and granular media by demonstrating a high throughput fabrication solution and a precise hydrodynamic analysis method for micro‐particle assemblies.
Infrared Organic Photodetectors Employing Ultralow Bandgap Polymer and Non‐Fullerene Acceptors for Biometric Monitoring
Authors: Jacoutot Polina , Scaccabarozzi Alberto D. , Zhang Tianyi , Qiao Zhuoran , Aniés Filip , Neophytou Marios , Bristow Helen , Kumar Rhea , Moser Maximilian , Nega Alkmini D. , Schiza Andriana , Dimitrakopoulou‐Strauss Antonia , Gregoriou Vasilis G. , Anthopoulos Thomas D. , Heeney Martin , McCulloch Iain , Bakulin Artem A. , Chochos Christos L. , Gasparini Nicola 
Published: March 2022

AbstractRecent efforts in the field of organic photodetectors (OPD) have been focused on extending broadband detection into the near‐infrared (NIR) region. Here, two blends of an ultralow bandgap push–pull polymer TQ‐T combined with state‐of‐the‐art non‐fullerene acceptors, IEICO‐4F and Y6, are compared to obtain OPDs for sensing in the NIR beyond 1100 nm, which is the cut off for benchmark Si photodiodes. It is observed that the TQ‐T:IEICO‐4F device has a superior IR responsivity (0.03 AW‐1 at 1200 nm and −2 V bias) and can detect infrared light up to 1800 nm, while the TQ‐T:Y6 blend shows a lower responsivity of 0.01 AW‐1. Device physics analyses are tied with spectroscopic and morphological studies to link the superior performance of TQ‐T:IEICO‐4F OPD to its faster charge separation as well as more favorable donor–acceptor domains mixing. In the polymer blend with Y6, the formation of large agglomerates that exceed the exciton diffusion length, which leads to high charge recombination, is observed. An application of these devices as biometric sensors for real‐time heart rate monitoring via photoplethysmography, utilizing infrared light, is demonstrated.
Water use efficiency and nitrogen use efficiency of apical rooted cuttings of potato grown in a mollic Andosol
Authors: Satognon Felix , Owido Seth F. O. , Lelei Joyce J. 
Published: March 2022

AbstractWater and nitrogen (N) are key interacting factors that control plant growth. The objective of the study was to determine the effect of N rates and drip irrigation regimes on water use efficiency (WUE) and N use efficiency (NUE) of apical rooted cuttings of potato (Solanum tuberosum L.) grown in a mollic Andosol. The treatments comprised four drip irrigation regimes of 50%, 75%, 85% and 100% of the crop evapotranspiration (ETC), where ETC100% was irrigated according to the soil water depletion 2 d after full irrigation and four N rates: 0 (N0), 60 (N1), 90 (N2) and 130 kg N ha−1 (N3). The results showed that potato tuber yield, WUE, and NUE were significantly (P < .001) affected by irrigation regimes, N rates, and the interaction of both factors. The highest potato tuber yield, 58.29 Mg ha−1, was obtained under ETC100% with N3, whereas the highest WUE, 17.5 kg m−3, was found under ETC50% with N3. The apical rooted cuttings of potato grown under ETC100% with N2 produced the maximum NUE, 208.30 kg kg−1. The correlation coefficient (r = 0.31; P < .01) obtained between WUE and NUE was weak. It was also observed that an increase in irrigation amount decreased WUE and increased NUE, whereas a high N dosage increased WUE and decreased NUE of potato grown in a mollic Andosol. This study suggests that if the farmers aim to maximize NUE of apical rooted cuttings in a mollic Andosol, then they will do so at the expense of potato WUE, and yield will be looked at as a secondary factor.
Magnetohydrodynamics unsteady separated stagnation‐point (USSP) flow of a hybrid nanofluid on a moving plate
Authors: Khashi'ie Najiyah Safwa , Wahid Nur Syahirah , Arifin Norihan Md , Pop Ioan 
Published: March 2022

AbstractIn view of the unique properties in the hybrid nanofluids, this working fluid has been widely applied in industrial and technological sectors along with the substantial growth of numerical and experimental studies. Hence, this study contributes to the thermal characteristics and flow behavior of magnetohydrodynamics (MHD) unsteady separated stagnation point (USSP) flow of Cu‐Al2O3/water nanofluid in a two‐dimensional system considering the shifting plate. The results are generated using the bvp4c package by first reducing the governing model. The results show that for the decelerating flow case, dual solutions exist while the steady and accelerating flow cases admit a unique solution. The critical values (separation from laminar to turbulent flow) and separation values (separation from attached flow solution/AFS to reverse flow solution/RFS) are observed and collected for different Hartmann number, acceleration parameter and fluids. The Cu‐Al2O3/water nanofluid has the maximum thermal rate followed by Cu‐water and pure water. Meanwhile, the magnetic field and acceleration parameter are also the contributing factors for the thermal enhancement and the expansion of the boundary layer separation.
Geodesics in the extended Kähler cone of Calabi-Yau threefolds
Authors: Brodie Callum R. , Constantin Andrei , Lukas Andre , Ruehle Fabian 
Published: March 2022

Abstract
We present a detailed study of the effective cones of Calabi-Yau threefolds with h1,1 = 2, including the possible types of walls bounding the Kähler cone and a classification of the intersection forms arising in the geometrical phases. For all three normal forms in the classification we explicitly solve the geodesic equation and use this to study the evolution near Kähler cone walls and across flop transitions in the context of M-theory compactifications. In the case where the geometric regime ends at a wall beyond which the effective cone continues, the geodesics “crash” into the wall, signaling a breakdown of the M-theory supergravity approximation. For illustration, we characterise the structure of the extended Kähler and effective cones of all h1,1 = 2 threefolds from the CICY and Kreuzer-Skarke lists, providing a rich set of examples for studying topology change in string theory. These examples show that all three cases of intersection form are realised and suggest that isomorphic flops and infinite flop sequences are common phenomena.
Anyon condensation: coherent states, symmetry enriched topological phases, Goldstone theorem, and dynamical rearrangement of symmetry
Authors: Hu Yuting , Huang Zichang , Hung Ling-Yan , Wan Yidun 
Published: March 2022

Abstract
Although the mathematics of anyon condensation in topological phases has been studied intensively in recent years, a proof of its physical existence is tantamount to constructing an effective Hamiltonian theory. In this paper, we concretely establish the physical foundation of anyon condensation by building the effective Hamiltonian and the Hilbert space, in which we explicitly construct the vacuum of the condensed phase as the coherent states that are the eigenstates of the creation operators creating the condensate anyons. Along with this construction, which is analogous to Laughlin’s construction of wavefunctions of fractional quantum hall states, we generalize the Goldstone theorem in the usual spontaneous symmetry breaking paradigm to the case of anyon condensation. We then prove that the condensed phase is a symmetry enriched (protected) topological phase by directly constructing the corresponding symmetry transformations, which can be considered as a generalization of the Bogoliubov transformation.