bluuebunny/crossref_metadata_2025_split huggingface dataset:
Is nontargeted data acquisition for target analysis (nDATA) in mass spectrometry a forward‐thinking analytical approach?
Authors: Abdollahi Marzieh , Segura Pedro A. , Beaudry Francis 
Published: October 2022

AbstractTargeted mass spectrometry is extensively used for the quantitative measurement of various molecules present in complex matrices. It is certainly one of the most important analytical duties in a mass spectrometry laboratory. Systematic development of selected‐reaction monitoring (SRM), multiple‐reaction monitoring (MRM) and parallel‐reaction monitoring (PRM) methods for targeted mass spectrometry‐based analysis was performed without considering future opportunities. The advancement of hardware and software technologies has resulted in greater resolution, accuracy, speed and depth. For sure, SRM, MRM or PRM acquisitions can quantify molecules very accurately at trace levels. However, they do not provide datasets allowing future data mining. Obviously, we cannot truly quantify something that we do not know is there. However, using non‐targeted data acquisition for target analysis, we can generate a MS1 and MS2 digital libraries of each sample, providing future proof datasets. This is instrumental for data mining following new questions potentially arising in time permitting new and deeper processing and interpretation. This perspective article provides thoughts on why we believe it is time to question the status quo in targeted mass spectrometry.
Crosstalk between metabolic reprogramming and epigenetics in cancer: updates on mechanisms and therapeutic opportunities
Authors: Ge Tongxin , Gu Xiang , Jia Renbing , Ge Shengfang , Chai Peiwei , Zhuang Ai , Fan Xianqun 
Published: October 2022

AbstractReversible, spatial, and temporal regulation of metabolic reprogramming and epigenetic homeostasis are prominent hallmarks of carcinogenesis. Cancer cells reprogram their metabolism to meet the high bioenergetic and biosynthetic demands for vigorous proliferation. Epigenetic dysregulation is a common feature of human cancers, which contributes to tumorigenesis and maintenance of the malignant phenotypes by regulating gene expression. The epigenome is sensitive to metabolic changes. Metabolism produces various metabolites that are substrates, cofactors, or inhibitors of epigenetic enzymes. Alterations in metabolic pathways and fluctuations in intermediate metabolites convey information regarding the intracellular metabolic status into the nucleus by modulating the activity of epigenetic enzymes and thus remodeling the epigenetic landscape, inducing transcriptional responses to heterogeneous metabolic requirements. Cancer metabolism is regulated by epigenetic machinery at both transcriptional and post‐transcriptional levels. Epigenetic modifiers, chromatin remodelers and non‐coding RNAs are integral contributors to the regulatory networks involved in cancer metabolism, facilitating malignant transformation. However, the significance of the close connection between metabolism and epigenetics in the context of cancer has not been fully deciphered. Thus, it will be constructive to summarize and update the emerging new evidence supporting this bidirectional crosstalk and deeply assess how the crosstalk between metabolic reprogramming and epigenetic abnormalities could be exploited to optimize treatment paradigms and establish new therapeutic options. In this review, we summarize the central mechanisms by which epigenetics and metabolism reciprocally modulate each other in cancer and elaborate upon and update the major contributions of the interplays between epigenetic aberrations and metabolic rewiring to cancer initiation and development. Finally, we highlight the potential therapeutic opportunities for hematological malignancies and solid tumors by targeting this epigenetic‐metabolic circuit. In summary, we endeavored to depict the current understanding of the coordination between these fundamental abnormalities more comprehensively and provide new perspectives for utilizing metabolic and epigenetic targets for cancer treatment.
The impact of entomophages on the population dynamics of major greenhouse cucumber pests
Authors: Mukhametov Almas , Benin Dmitrii , Mutalibova Gavakhirat , Snegirev Dmitry , Pshidatok Saida 
Published: October 2022

AbstractThe potentially effective use of entomophages against melon aphid, spider mite, tobacco thrips, and greenhouse whitefly has been demonstrated. The release rates of several entomophages have been proposed for protecting cucumber (Cucumis sativus L.) plants from the aforementioned pests. The predatory mites Amblyseius montdorensis Schicha, Neoseiulus cucumeris (Oudemans), and Amblyseius andersoni (Chant) were used to control the populations of thrips and greenhouse whiteflies. The dose of these entomophagous species applied was 8 to 10 individuals m–2 per plant every 3 wk. To fight spider mite, the predator Phytoseiulus persimilis Athias‐Henriot was used at the rate of 1 individual m–2 every 3 wk as a preventive measure. The parasitoid Aphidius colemani Viereck was released to suppress melon aphid (A. gossypii). The long‐term observations of the population dynamics of pests and the use of natural enemies to manage pests at the local level will enable us to adjust the dose of entomophages applied depending on the geographical location of the greenhouse facility, the regional climatic conditions, and weather conditions typical of certain years, etc. According to these factors, the results of this study are applicable to other greenhouse facilities with similar conditions. In future, the authors intend to elucidate an optimized method of using entomophagous species for farms located in warmer regions.
Noncovalent Interactions in Halogenated Pyridinium Salts of the Weakly Coordinating Anion [Al(OTeF5)4]−
Authors: Kotsyuda Sofiya , Toraman Ahmet N. , Voßnacker Patrick , Ellwanger Mathias A. , Steinhauer Simon , Müller Carsten , Riedel Sebastian 
Published: October 2022

AbstractThe synthesis and the first structural characterization of the halogenated pyridinium salts [C5F5NH]+, [C5F4ClNH]+, [(C5F5N)2H]+, [(C5Cl5N)2H]+ of the weakly coordinating anion (WCA) [Al(OTeF5)4]−, showing noncovalent interactions in the solid state, are presented. The salts were characterized by the multinuclear NMR and IR spectroscopy as well as X‐ray diffraction. Hirshfeld surface analysis and solid state structures reveal various intermolecular anion‐π and σ‐hole interactions between the corresponding halogenated pyridinium cations and the anion [Al(OTeF5)4]−.
An improved correlation for dry pressure losses across static mixers at high Reynolds numbers
Authors: Lowry Evan , Krishnamoorthy Gautham 
Published: October 2022

AbstractCorrugated (SMV‐style) static mixers are industrially important for process intensification and can promote gas–liquid mass transfer in processes such as sour gas sweetening. Current correlations for pressure loss are limited to Reynolds numbers (Re) below 40 000, far below the ranges encountered in natural gas systems (105 < Re < 107). An experimental and numerical study of pressure drop across multiple corrugated mixers in the range of 104 < Re <2 × 105encompassing different configurations (aligned, rotated), pipe diameters (1–4 in.), and sand grain surface roughness values (10–5000 μm) is reported here. Our previous correlation for pressure loss across a single corrugated element is shown to be extendable to multiple corrugated mixing elements. Through the inclusion of mixer tortuosity (τ), porosity (ε), and macro‐scale (geometric) wall roughness (e), the correlation also matches historical pressure drop data (at differentτ,ε) reported in literature, thereby demonstrating the utility of these variables as parameters that can help optimize mixer performance. Experiments and computational fluid dynamics (CFD) modelling revealed that the rotated configuration increased the residence time by up to 13% in comparison to the aligned configuration. This may have implications on the selective absorption of sour gas components that are based on fast kinetics. In addition, the role of wall roughness (both pipe housing and mixer) was demonstrated to be significant in this study (accounting for 55% of the pressure losses) and must be accurately accounted for when scaling laboratory measurements.
Insight into the Stability and Properties of Zn‐Doped KH2PO4 Crystal by Hybrid Density Functional Theory
Authors: Li Yang , Jiang Xuanyu , Wu Pengcheng , Zhang Lisong , Liu Baoan , Li Yanlu , Zhao Xian , Sun Xun , Xu Mingxia 
Published: October 2022

AbstractDefects are considered as one of the important factors affecting the quality and laser‐induced damage threshold of potassium dihydrogen phosphate (KH2PO4, KDP). In this study, hybrid density functional theory is used to investigate how the Zn2+ ions affect the properties of KDP crystal. Since crystal defects often do not exist singly but combine with each other to form clusters, two charge‐compensated defect clusters, ZnK+ （Zn2+ ion substitutes K+ ion）+ VK− （potassium vacancy）and ZnK+ + VH− (hydrogen vacancy) are modeled in this work to investigate the stability of them, the defect states induced by these defects and the mechanisms of the structural breakdown. Zn2+ ions have a slight effect on the electronic property and linear optical absorption of KDP crystal. With the increase of Zn2+ concentration, more defect pairs are generated, which causes the deformation of more O─H bonds linking to PO4 and then the crystal structure becomes unstable. The laser‐induced damage resistance of the KDP crystalis affected due to the instability of crystal structure.
Effects of Methanol on the Seeded Precipitation of Al(OH)3 from Potassium Aluminate Solution
Authors: Luo Mengjie , Sun Yuzhu , Liu Chenglin , Xue Jin , Song Xingfu 
Published: October 2022

AbstractThe effects of methanol on the seeded precipitation of Al(OH)3 from potassium aluminate solution are investigated. The solubility of Al(OH)3 decreases in the presence of methanol, leading to a faster crystallization and a higher precipitation ratio than the normal seeded precipitation process. Under the optional precipitation conditions of temperature 323.15 K, K2O concentration 170 g L−1, and addition of an equal volume of methanol to potassium aluminate solution, the precipitation ratio can exceed 85% within 7 h. Characterization of the Al(OH)3 products using X‐ray diffraction, scanning electron microscopy, and particle size distribution shows a typical gibbsite crystal phase composed of sheet‐like agglomerates with an average particle size of 74 µm. An interaction model between methanol molecules and Al(OH)3 crystal face is established and calculated by using the molecular dynamics method, which indicates the morphology transition mechanism of the Al(OH)3 crystal. The result indicates that methanol molecules would hinder the growth of the (002) crystal face, so that the (002) crystal face is eventually retained and becomes the main crystal face for the Al(OH)3 product. Infrared radiation and Raman spectra analyses suggest that the added methanol captures water molecules from the aluminate ion hydration sphere and thus catalyzes the crystallization process.
Effect of external fields on pattern formation of charged grains in plasma
Authors: Chen Zhidong , Li Mengdie , Li Jinfeng , Wang Youmei , Yu Ming‐Young 
Published: October 2022

AbstractTwo‐dimensional cluster and pattern formation by charged grains in plasma under external harmonic force and transverse magnetic field is investigated using molecular dynamics simulation. It is found that, as a result of the Yukawa‐like grain‐grain interaction and the external fields, the asymptotic quasistationary state of an initially homogeneous and Maxwellian velocity distributed grain system can be a disk cluster with the grain trajectories having flowery zonal patterns.
In vitro degradation of ziprasidone in human whole blood
Authors: Castle Jared W. , Butzbach Danielle M. , Walker G. Stewart , Lenehan Claire E. , Reith Frank , Costello Samuel P. , Kirkbride K. Paul 
Published: October 2022

AbstractA systematic study was performed into the degradation of ziprasidone in simulated postmortem blood. Fifteen potential degradation products not previously reported in the literature were observed. Four resulted from degradation in human blood, whereas the remaining products resulted from reaction with solvents: four from alkaline degradation, four from reaction with acetaldehyde, and three from reaction with acetone. To identify possible degradation products, a liquid chromatograph‐diode array detector (LC‐DAD) and liquid chromatograph quadrupole‐time‐of‐flight mass spectrometer (LC‐QTOF‐MS) operating in auto‐MS/MS mode were used. It was indicated from red‐shifted UV–Vis spectra, accurate mass data, mass fragmentation data, and a deuteration experiment that the site of ziprasidone degradation, in the in vitro blood experiments, was the methylene carbon of the oxindole moiety. The major in vitro blood degradation products were proposed to be E/Z isomers of 3‐ethylidene‐ziprasidone. Further, another in vitro degradation product in microbially inoculated blood specimens was proposed to be 3‐ethyl‐ziprasidone. 3‐Ethylidene‐ziprasidone was hypothesized to form from the reaction of ziprasidone with acetaldehyde derived from the ethanol used to spike ziprasidone into the in vitro blood experiments. Data from two postmortem investigations were available for retrospective reanalysis. Attempts were made to detect degradation products of ziprasidone, but none were found.
Administration and detection of gene therapy in horses: A systematic review
Authors: Haughan Joanne , Ortved Kyla F. , Robinson Mary A. 
Published: October 2022

AbstractGene therapy uses genetic modification of cells to produce a therapeutic effect. Defective or missing genes can be repaired or replaced, or gene expression can be modified using a variety of technologies. Repair of defective genes can be achieved using specialized gene editing tools. Gene addition promotes gene expression by introducing synthetic copies of genes of interest (transgenes) into cells where they are transcribed and translated into therapeutic proteins. Protein production can also be modified using therapies that regulate gene expression.Gene therapy is currently prohibited in both human and equine athletes because of the potential to induce production of performance‐enhancing proteins in the athlete's body, also referred to as “gene doping.” Detection of gene doping is challenging and necessitates development of creative, novel analytical methods for doping control. Methods for detection of gene doping must be specific to and will vary depending on the type of gene therapy. The purpose of this paper is to present the results of a systematic review of gene editing, gene therapy, and detection of gene doping in horses.Based on the published literature, gene therapy has been administered to horses in a large number of experimental studies and a smaller number of clinical cases. Detection of gene therapy is possible using a combination of PCR and sequencing technologies. This summary can provide a basis for discussion of appropriate and inappropriate uses for gene therapy in horses by the veterinary community and guide expansion of methods to detect inappropriate uses by the regulatory community.
Integrating principles and tools of decision science into value‐driven watershed planning for compensatory mitigation
Authors: Sanchez Georgina M. , Eaton Mitchell J. , Garcia Ana M. , Keisman Jennifer , Ullman Kirsten , Blackwell James , Meentemeyer Ross K. 
Published: October 2022

AbstractSeveral environmental policies strive to restore impaired ecosystems and could benefit from a consistent and transparent process—codeveloped with key stakeholders—to prioritize impaired ecosystems for restoration activities. The Clean Water Act, for example, establishes reallocation mechanisms to transfer ecosystem services from sites of disturbance to compensation sites to offset aquatic resource functions that are unavoidably lost through land development. However, planning for the prioritization of compensatory mitigation areas is often hampered by decision‐making processes that fall into a myopic decision frame because they are not coproduced with stakeholders. In this study, we partnered with domain experts from the North Carolina Division of Mitigation Services to codevelop a real‐world decision framework to prioritize catchments by potential for the development of mitigation projects following principles of a structured decision‐making process and knowledge coproduction. Following an iterative decision analysis cycle, domain experts revised foundational components of the decision framework and progressively added complexity and realism as they gained additional insights or more information became available. Through the course of facilitated in‐person and remote interactions, the codevelopment of a decision framework produced three main “breakthroughs” from the perspective of the stakeholder group: (a) recognition of the problem as a multiobjective decision driven by several values in addition to biogeophysical goals (e.g., functional uplift, restoring or enhancing lost functionality of ecosystems); (b) that the decision comprises a linked and sequential planning‐to‐implementation process; and (c) future risk associated with land‐use and climate change must be considered. We also present an interactive tool for “on‐the‐fly” assessment of alternatives and tradeoff analysis, allowing domain experts to quickly test, react to, and revise prioritization strategies. The decision framework described in this study is not limited to the prioritization of compensatory mitigation activities across North Carolina but rather serves as a framework to prioritize a wide range of restoration, conservation, and resource allocation activities in similar environmental contexts across the nation.
Cross‐cultural adaptation and validation of the Nine Item ARFID Screen (NIAS) in Mexican youths
Authors: Medina‐Tepal Karla Areli , Vazquez‐Arevalo Rosalia , Trujillo‐ChiVacuán Eva María , Zickgraf Hana F. , Mancilla‐Díaz Juan Manuel 
Published: October 2022

AbstractAvoidant/Restrictive Food Intake Disorder (ARFID) is defined by limited volume or variety of food intake motivated by the sensory properties of food, fear of aversive consequences, or lack of interest in food or eating associated with medical, nutritional, and psychosocial impairment. Currently, two of the most widely validated measures are The Eating Disturbances in Youth‐Questionnaire (EDY‐Q) and the Nine Item ARFID Screen (NIAS). The latter has proven valid and reliable for assessing this disorder.ObjectiveTo validate a culturally sensitive adaptation of the NIAS instrument and evaluate its psychometric properties in Mexican youths.MethodThe sample consisted of 800 participants aged 12—30 (M = 18.56, SD = 3.52) from Mexico City and Hidalgo public educational institutions.ResultsThe S‐NIAS obtained a Cronbach's alpha of 0.84, adequate construct validity adjustment rates: CMIN = 1.88; GFI = 0.97; AGFI = 0.94; CFI = 0.98; RMR = 0.050; and RMSEA = 0.047. Measurement invariance by gender, age, and survey administration which show that construct is understood in the same way across both groups and despite the change from paper‐and‐pencil to online survey administration.ConclusionThe psychometric properties of the Spanish Nine Item ARFID Screen (S‐NIAS) indicate that it is a valid and reliable instrument for evaluating symptoms associated with ARFID in this sample of youths.Public SignificanceAlthough there are advances in studying ARFID, their epidemiological data comes mainly from a few countries. Furthermore, these data are scarcer due to the lack of validated screening and assessment instruments available in a variety of world languages; having instruments for the evaluation of ARFID symptoms is essential because it could function as an auxiliary means for the detection and prevention of people at risk.
Input voltage estimation method and suppression of distortion caused by DC voltage ripple for input current control of PFC
Authors: Yamada Ryuji , Araumi Ryunosuke , Wada Keiji 
Published: October 2022

AbstractThis paper proposes a new method for input current control of power factor correction (PFC) with continuous conduction mode (CCM), which does not require input voltage detection. As a control method that does not use input voltage detection, pulse width modulation (PWM) with the inductor current as the modulated signal is already in practical use however, this approach has limitations for the range of inductance values used. In CCM‐PFC, the input rectified voltage and low‐frequency component of the voltage of the switching circuit are approximately equal in the stable state as well as proportional to the PWM signal. This study uses the previous modulated signal as the estimated voltage value to generate an instantaneous current command for feedback control. In addition, a method to suppress the influence of the DC voltage ripple by changing the voltage control gain according to the value of the DC voltage was employed. From the evaluation, it was confirmed that the harmonics of the input current were suppressed within the specified range of values.
At the intersection of co‐creation: Exploring LGBTQ2S evaluation with youth
Authors: Whynot Jane , Heath Sarah , Silver Larissa , Robin Charlie‐Rae , Kent Mathew 
Published: October 2022

AbstractThis article applies a reflective account of experiences of youth, organizational personnel, and evaluators in an evaluation of the Youth Services Bureau of Ottawa's transition to a Housing First for Youth model. A prominent aspect of this evaluation was the extended focus on, to and with LGBTQ2S+ youth. Our collective account positions co‐creation along a continuum involving these youth as data sources, as consultants, co‐evaluators, and as co‐leaders. Authors use these three continuum points to present related theory, application in our project context, the intersectional implications, and lessons learned to highlight practical and theoretical implications for LGBTQ2S+ evaluation. We conclude our contribution to this special issue by discussing implications and elements that need to be considered for LGBTQ2S+ evaluation.
Evaluator education through an LGBTQ+ lens: Interrogating power and privilege in the classroom
Authors: Wright Morgan M. , LaVelle John M. 
Published: October 2022

AbstractThe long‐term sustainability and stability of the evaluation profession is dependent on superior, evaluation‐specific education programs designed to help increase the quality, numbers, visibility, and collective impact of evaluation theory and practice in society. Recent studies illustrate the breadth of colleges and universities in the United States that are offering certificates, master's degrees, and doctoral degrees with a specialization in evaluation. Less attention has been paid, however, to the ways higher education institutions prepare would‐be evaluators to recognize the limits of their expertise and to work with individuals and communities that may not share their expertise or background. The importance of this awareness is compounded by the ethical challenges associated with facilitating evaluative work with diverse, historically marginalized groups such as LGBTQ+ communities, which may have their own fraught histories with evaluation. This chapter will discuss LGBTQ+ perspectives that educators should include in their evaluation curricula to help inform high‐quality, ethical practice, and conclude with a dialogue between the authors about the process of writing the chapter, their concerns, and their hopes for the future.