bluuebunny/crossref_metadata_2025_split huggingface dataset:
Radical 1,4‐Aryl Migration Enabled Remote Cross‐Electrophile Coupling of α‐Amino‐β‐Bromo Acid Esters with Aryl Bromides
Authors: Tang Shi , Xu Zhen‐Hua , Liu Ting , Wang Shuo‐Wen , Yu Jian , Liu Jian , Hong Yu , Chen Shi‐Lu , He Jin , Li Jin‐Heng 
Published: July 2021

AbstractWe report an unprecedented, efficient nickel‐catalysed radical relay for the remote cross‐electrophile coupling of β‐bromo‐α‐benzylamino acid esters with aryl bromides via 1,4‐aryl migration/arylation cascades. β‐Bromo‐α‐benzylamino acid esters are considered as unique molecular scaffolds allowing for aryl migration reactions, which are conceptually novel variants for the radical Truce–Smiles rearrangement. This reaction enables the formation of two new C(sp3)−C(sp2) bonds using a bench‐stable Ni/bipyridine/Zn system featuring a broad substrate scope and excellent diastereoselectivity, which provides an effective platform for the remote aryl group migration and arylation of amino acid esters via redox‐neutral C(sp3)−C(sp2) bond cleavage. Mechanistically, this cascade reaction is accomplished by combining two powerful catalytic cycles consisting of a cross‐electrophile coupling and radical 1,4‐aryl migration through the generation of C(sp3)‐centred radical intermediates from the homolysis of C(sp3)−Br bonds and the switching of the transient alkyl radical into a robust α‐aminoalkyl radical.
After 200 Years: The Structure of Bleach and Characterization of Hypohalite Ions by Single‐Crystal X‐Ray Diffraction**
Authors: Topić Filip , Marrett Joseph M. , Borchers Tristan H. , Titi Hatem M. , Barrett Christopher J. , Friščić Tomislav 
Published: July 2021

AbstractWe report the first X‐ray single crystal structures of hypochlorite (ClO−) and hypobromite (BrO−) salts, including hydrated sodium hypochlorite, a staple of the chlorine industry and ubiquitous bleaching and disinfection agent for almost 200 years. The structures, supported by variable‐temperature Raman spectroscopy on individual crystals and periodic density‐functional theory (DFT) calculations, provide insight into solid‐state geometry and supramolecular chemistry of hypohalite ions.
A novel undergraduate biomedical laboratory course concept in synergy with ongoing faculty research
Authors: Schot Willemijn D. , Hegeman Maria A. , ten Broeke Toine , Valentijn Floris A. , Meijerman Irma , Prins Frans J. , Dictus Wim J. A. G. , Bovenschen Niels 
Published: July 2021

AbstractOptimal integration of education and ongoing faculty research in many undergraduate science programs is limited to the capstone project. Here, we aimed to develop a novel course‐based undergraduate research experience (CURE) in synergy with ongoing faculty research. This 10‐week course called Biomedical Research Lab is embedded in the curriculum of the undergraduate program Biomedical Sciences and grounded in the theoretical framework of research‐based learning. Four groups of four students work together in a dedicated laboratory on an actual ongoing research problem of faculty. All groups work on the same research problem, albeit from different (methodological) perspectives, thereby stimulating interdependence between all participants. Students propose new research, execute the experiments, and collectively report in a single research article. According to students, the course enhanced scientific, laboratory, and academic skills. Students appreciated ownership and responsibilities of the research, laboratory teachers as role models, and they were inspired and motivated by doing authentic actual research. The course resulted in a better understanding of what doing research entails. Faculty valued the didactical experience, research output and scouting opportunities. Since topics can change per course edition, we have showcased a widely applicable pedagogy creating synergy between ongoing research and undergraduate education.
Large‐scale collaboration in ENIGMA‐EEG: A perspective on the meta‐analytic approach to link neurological and psychiatric liability genes to electrophysiological brain activity
Authors: Smit Dirk J. A. , Andreassen Ole A. , Boomsma Dorret I. , Burwell Scott J. , Chorlian David B. , de Geus Eco J. C. , Elvsåshagen Torbjørn , Gordon Reyna L. , Harper Jeremy , Hegerl Ulrich , Hensch Tilman , Iacono William G. , Jawinski Philippe , Jönsson Erik G. , Luykx Jurjen J. , Magne Cyrille L. , Malone Stephen M. , Medland Sarah E. , Meyers Jacquelyn L. , Moberget Torgeir , Porjesz Bernice , Sander Christian , Sisodiya Sanjay M. , Thompson Paul M. , van Beijsterveldt Catharina E. M. , van Dellen Edwin , Via Marc , Wright Margaret J. 
Published: July 2021

AbstractBackground and purposeThe ENIGMA‐EEG working group was established to enable large‐scale international collaborations among cohorts that investigate the genetics of brain function measured with electroencephalography (EEG). In this perspective, we will discuss why analyzing the genetics of functional brain activity may be crucial for understanding how neurological and psychiatric liability genes affect the brain.MethodsWe summarize how we have performed our currently largest genome‐wide association study of oscillatory brain activity in EEG recordings by meta‐analyzing the results across five participating cohorts, resulting in the first genome‐wide significant hits for oscillatory brain function located in/near genes that were previously associated with psychiatric disorders. We describe how we have tackled methodological issues surrounding genetic meta‐analysis of EEG features. We discuss the importance of harmonizing EEG signal processing, cleaning, and feature extraction. Finally, we explain our selection of EEG features currently being investigated, including the temporal dynamics of oscillations and the connectivity network based on synchronization of oscillations.ResultsWe present data that show how to perform systematic quality control and evaluate how choices in reference electrode and montage affect individual differences in EEG parameters.ConclusionThe long list of potential challenges to our large‐scale meta‐analytic approach requires extensive effort and organization between participating cohorts; however, our perspective shows that these challenges are surmountable. Our perspective argues that elucidating the genetic of EEG oscillatory activity is a worthwhile effort in order to elucidate the pathway from gene to disease liability.
Rivastigmine for minor visual hallucinations in Parkinson's disease: A randomized controlled trial with 24 months follow‐up
Authors: van Mierlo Tom J. M. , Foncke Elisabeth M. J. , Post Bart , Schmand Ben A. , Bloem Bastiaan R. , van Harten Barbera , Tissingh Gerrit , Munts Alexander G. , de Haan Rob J. , de Bie Rob M. A. ,   other individuals of the CHEVAL Study Group
Published: July 2021

AbstractBackgroundVisual hallucinations are common in patients with Parkinson's disease and represent probably the major independent predictor for cognitive deterioration and nursing home placement.ObjectiveTo investigate if treatment of minor visual hallucinations in Parkinson's disease with rivastigmine delays the progression to psychosis.MethodsA multicenter, randomized, double‐blind, placebo‐controlled trial was conducted which aimed to recruit 168 patients with Parkinson's disease reporting minor visual hallucinations 4 weeks before it. Important exclusion criteria were Parkinson's disease dementia, current delirium, and treatment with antipsychotics or drugs that have significant anti‐cholinergic side effects. Subjects were randomized to rivastigmine capsules, 3–6 mg twice a day, or placebo for 24 months. The primary outcome was the time to Parkinson's disease psychosis, which was defined as the need to start with antipsychotics.ResultsThe trial was stopped prematurely because of slow recruitment. Ninety‐one patients were randomized: 46 patients were assigned to rivastigmine and 45 patients to placebo. No effect of rivastigmine could be demonstrated on the transition time to psychosis or dementia during the 24‐month follow‐up period. After 6 months of study treatment, cognition, mood, motor performance, and non‐motor performance did not differ significantly between the rivastigmine‐group and the placebo‐group.ConclusionsBecause the study was terminated early, it was insufficiently powered to properly evaluate the primary outcome. The limited data of the study favor a wait and see approach instead of early treatment with rivastigmine in PD patients with minor VH.
Aqueous‐alcoholic Ferulla extract reduces memory impairments in rats exposed to cadmium chloride
Authors: Fadaei Homeyra , Mirhosseiniardakani Soheilaalsadat , Farajzadeh Asghar , Aghayan Seyed Sharokh , Jafarisani Moslem , Garmabi Behzad 
Published: July 2021

AbstractIntroductionCadmium (Cd) is the most dangerous heavy metal that is becoming more widespread in nature as a result of industrial activities. One of the toxic effects of Cd on the body is its neurological effect. The mechanism of these effects has been attributed to the induction of oxidative stress. Ferulla plant has antioxidant properties. In the present study, the aim was to reduce the toxic effects of Cd on memory impairment in rats by through the consumption of Ferulla extract.Materials & MethodRats were randomly divided into five groups of six: (1) control group, (2) 300 μM cadmium exposure group, and three treatment groups with doses of (3) 100, (4) 300, and (5) 600 mg/kg.BW of F. Ferulla extract after Cd exposure. To induce neurotoxicity, Cd was daily injected peritoneally at a concentration of 300 μM in 1 ml of normal saline for a week. Next, for 3 weeks, the Cd group received 1 ml of normal peritoneal saline, and the treatment groups received F. Ferulla extract at concentrations of 100, 300, and 600 mg/kg.BW in 1 ml of normal saline daily for a week. At the end of the treatment period, a water maze was used to assess memory disorders. Malondialdehyde (MDA), glutathione concentration (GSH), and glutathione peroxidase (GPX) activity in nerve tissue were also measured. Morris water maze was also performed after intervention.ResultsCd‐induced neurotoxicity was shown in Cd groups. MDA, GSH, and GPX have a significant difference in comparison between the Cd and 300, 600 treated groups. MDA has a significant increase (p < 0.05), and GSH and GPX have a significant decrease (p < 0.05). The results of the Morris water maze showed that the Cd group spent either 300 or 600 more distances and time to find a place to escape, which was significant (p < 0.05)ConclusionCd exposure can induce neurotoxicity and disrupt learning and memory. On the other hand, Ferulla extract can improve learning and memory in Cd‐induced neurotoxicity model via induced antioxidant defense system.
Non‐motor phenotypic subgroups in adult‐onset idiopathic, isolated, focal cervical dystonia
Authors: Wadon Megan E. , Bailey Grace A. , Yilmaz Zehra , Hubbard Emily , AlSaeed Meshari , Robinson Amy , McLauchlan Duncan , Barbano Richard L. , Marsh Laura , Factor Stewart A. , Fox Susan H. , Adler Charles H. , Rodriguez Ramon L. , Comella Cynthia L. , Reich Stephen G. , Severt William L. , Goetz Christopher G. , Perlmutter Joel S. , Jinnah Hyder A. , Harding Katharine E. , Sandor Cynthia , Peall Kathryn J. 
Published: July 2021

AbstractBackground: Non‐motor symptoms are well established phenotypic components of adult‐onset idiopathic, isolated, focal cervical dystonia (AOIFCD). However, improved understanding of their clinical heterogeneity is needed to better target therapeutic intervention. Here, we examine non‐motor phenotypic features to identify possible AOIFCD subgroups.Methods: Participants diagnosed with AOIFCD were recruited via specialist neurology clinics (dystonia wales: n = 114, dystonia coalition: n = 183). Non‐motor assessment included psychiatric symptoms, pain, sleep disturbance, and quality of life, assessed using self‐completed questionnaires or face‐to‐face assessment. Both cohorts were analyzed independently using Cluster, and Bayesian multiple mixed model phenotype analyses to investigate the relationship between non‐motor symptoms and determine evidence of phenotypic subgroups.Results: Independent cluster analysis of the two cohorts suggests two predominant phenotypic subgroups, one consisting of approximately a third of participants in both cohorts, experiencing increased levels of depression, anxiety, sleep impairment, and pain catastrophizing, as well as, decreased quality of life. The Bayesian approach reinforced this with the primary axis, which explained the majority of the variance, in each cohort being associated with psychiatric symptomology, and also sleep impairment and pain catastrophizing in the Dystonia Wales cohort.Conclusions: Non‐motor symptoms accompanying AOIFCD parse into two predominant phenotypic sub‐groups, with differences in psychiatric symptoms, pain catastrophizing, sleep quality, and quality of life. Improved understanding of these symptom groups will enable better targeted pathophysiological investigation and future therapeutic intervention.
Support for rights of Syrian refugees in Turkey: The role of secondary transfer effects in intergroup contact
Authors: Ünver Halime , Çakal Hüseyin , Güler Meltem , Tropp Linda R. 
Published: July 2021

AbstractThis study explored the role of secondary transfer effects (STEs) to test whether and how contact between advantaged Turks and disadvantaged Kurds may shape support for the rights of Syrian refugees. We investigated whether dimensions of contact, positive versus negative, between a historically advantaged group (Turks, n = 300) and a disadvantaged group (Kurds, n = 127), extend to a novel disadvantaged outgroup (Syrian refugees) via attitude generalization and as a function of the perceived threat from the novel outgroup. Controlling for the effects of contact with Syrian refugees, findings show that both positive and negative contacts with the primary outgroups are associated with support for policies benefiting the secondary outgroup, Syrian refugees, but these associations are moderated by perceived threats posed by the secondary outgroup. We discuss the implications of these findings for future research on secondary transfer processes of contact and for research on multiple group contexts. Please refer to the Supplementary Material section to find this article's Community and Social Impact Statement.
The Dirichlet model in marketing
Authors: Driesener Carl , Rungie Cam 
Published: July 2021

AbstractWe present a review of Gerald Goodhardt's most famous contribution to marketing science—the NBD‐Dirichlet model. This provides a powerful illustration of the complex pathway and useful associated discoveries that over 25 years lead to the specification and application of a key marketing model. We identify the process that started with the negative binomial distribution (NBD) applied to purchase incidence, examined alternatives such as the logarithmic series distribution (LSD) and the beta binomial distribution (BBD), and along the way developed conditional trend analysis (CTA). We then explore the development of brand choice beginning with duplication of purchase as a method for understanding the underlying patterns, before moving into various approaches to modelling choice including a multivariate NBD, and eventually a multivariate BBD—the Dirichlet multinomial distribution (DMD). We discuss key events in modelling consumer behaviour and outline the model's implications for how marketers should think about consumers, or more specifically the Dirichlet consumer. Finally, we provide a survey of the model's applications uncovering a rich recent history and bright future for Goodhardt's legacy.
Molecular Electrocatalytic Hydrogenation of Carbonyls and Dehydrogenation of Alcohols
Authors: von Wolff Niklas , Rivada‐Wheelaghan Orestes , Tocqueville Damien 
Published: July 2021

AbstractThe development of safe and energy efficient redox processes is key for a future sustainable organic chemistry and energy storage/vector applications. Molecular electrocatalysts have demonstrated their potential in the realm of CO2 reduction, however, successful implementations for the reduction of other carbonyl groups remain sporadic. Building on the reversibility of hydrogenation and dehydrogenation of carbonyls and alcohols, an overview of current molecular electrocatalytic systems is presented. Key mechanistic concepts are emphasized to facilitate the link with more mature schemes in transfer hydrogenation, proton‐ and CO2‐reduction. Thus, this work contributes to future catalyst generation development bridging fundamental aspects of electrochemical bond activation with molecular catalytic concepts in the context of societal challenges of today.
Genetic Algorithm‐Based Improvement to Equivalent Circuit Analysis of Experimental Data in Electrochemical Impedance Spectroscopy
Authors: Kowski Marek , Palys Marcin J. 
Published: July 2021

AbstractThe paper discusses implementation of a hybrid algorithm for the optimization of equivalent circuit (EQC) parameters in the processing of electrochemical impedance data. Similar to other works, we use the genetic algorithm (GA) to find approximate values of parameters, which are further refined by a complex nonlinear least squares (CNLS) method, e. g. Levenberg‐Marquardt. This removes the important drawback of CNLS: the need to supply optimized starting values that are close to optimal ones. We propose the sequence of GA operations and values of GA parameters. In comparison to other works, our algorithm is designed to simplify connection of its GA part to existing CNLS procedures in electrochemical software packages. The algorithm was tested with datasets generated for both simple and complex EQCs, with and without added noise. No starting values were needed and the allowed ranges for EQC parameter variations were broader than found in usual experimental practice. For GA population as small as 300 individuals and the limit of only 500 GA cycles, more than 85 % of runs were successful, while in many cases the success rate was 100 %, also for smaller populations.
Wireless Anodization of Ti in Closed Bipolar Cells
Authors: Sopha Hanna , Rodriguez‐Pereira Jhonatan , Cicmancova Veronika , Macak Jan M. 
Published: July 2021

AbstractIn this work, the anodization of Ti foils in closed bipolar cells is shown for the first time. Depending on the applied potential, i. e. direct or alternating potential, TiO2 nanotube (TNT) layers can either be prepared on one side or on both sides of a Ti foil. It is shown that due to the use of closed bipolar cells, potentials with different amplitudes can be applied within the individual two half‐cells. Additionally, different electrolytes can be used for the anodization of the two sides of a Ti substrate. Thus, the TNT layers obtained under alternating potential on both sides of a Ti foil can have completely different dimensions, i. e. TNT diameter and TNT layer thickness. Furthermore, by employing alternating potentials, black TNT layers can be synthesized on the side of the Ti foil, while being reduced during the last anodization step at negative potentials.
Deep chemometrics: Validation and transfer of a global deep near‐infrared fruit model to use it on a new portable instrument
Authors: Mishra Puneet , Passos Dário 
Published: July 2021

AbstractRecently, a large near‐infrared spectroscopy data set for mango fruit quality assessment was made available online. Based on that data, a deep learning (DL) model outperformed all major chemometrics and machine learning approaches. However, in earlier studies, the model validation was limited to the test set from the same data set which was measured with the same instrument on samples from a similar origin. From a DL perspective, once a model is trained it is expected to generalise well when applied to a new batch of data. Hence, this study aims to validate the generalisability performance of the earlier developed DL model related to DM prediction in mango on a different test set measured in a local laboratory setting, with a different instrument. At first, the performance of the old DL model was presented. Later, a new DL model was crafted to cover the seasonal variability related to fruit harvest season. Finally, a DL model transfer method was performed to use the model on a new instrument. The direct application of the old DL model led to a higher error compared to the PLS model. However, the performance of the DL model was improved drastically when it was tuned to cover the seasonal variability. The updated DL model performed the best compared to the implementation of a new PLS model or updating the existing PLS model. A final root‐mean‐square error prediction (RMSEP) of 0.518% was reached. This result supports that, in the availability of large data sets, DL modelling can outperform chemometrics approaches.
Phosphine‐Stabilized Pnictinidenes
Authors: Raiser Dominik , Eichele Klaus , Schubert Hartmut , Wesemann Lars 
Published: July 2021

AbstractThe reaction of the intramolecular germylene‐phosphine Lewis pair (o‐PPh2)C6H4GeAr* (1) with Group 15 element trichlorides ECl3 (E=P, As, Sb) was investigated. After oxidative addition, the resulting compounds (o‐PPh2)C6H4(Ar*)Ge(Cl)ECl2 (2: E=P, 3: E=As, 4: E=Sb) were reduced by using sodium metal or LiHBEt3. The molecular structures of the phosphine‐stabilized phosphinidene (o‐PPh2)C6H4(Ar*)Ge(Cl)P (5), arsinidene (o‐PPh2)C6H4(Ar*)Ge(Cl)As (6) and stibinidene (o‐PPh2)C6H4(Ar*)Ge(Cl)Sb (7) are presented; they feature a two‐coordinate low‐valent Group 15 element. After chloride abstraction, a cyclic germaphosphene [(o‐PPh2)C6H4(Ar*)GeP] [B(C6H3(CF3)2)4] (8) was isolated. The 31P NMR data of the germaphosphene were compared with literature examples and analyzed by quantum chemical calculations. The phosphinidene was treated with [iBu2AlH]2, and the product of an Al−H addition to the low‐valent phosphorus atom (o‐PPh2)C6H4(Ar*)Ge(H)P(H)Al(C4H9)2 (9) was characterized.
Exploring the Microbial Ecological Functions in Response to Vertical Gradients in a Polluted Urban River
Authors: Cai Wei , Li Yi , Hu Jian , Cheng Haomiao 
Published: July 2021

AbstractSharp vertical environmental gradients could differentially affect the structure and function of microbes. Here, the authors provide some of the first insights into the vertical distribution of microbial functions in a polluted urban river using Geochip 5.0 microarray. A total of 89 615 functional genes belonging to 1213 categories are detected in Jinchuan River in China. Genes involved in metal homeostasis, stress response, carbon cycling, antibiotic resistance, and organic contaminant degradation are the primary gene categories detected and comprise 24.63%, 15.20%, 14.17%, 10.59%, and 8.03% of total genes. There are no significant differences in the abundance of functional gene groups at varying depths. Different gene categories showed small fluctuations in their metabolic potentials at varying depths. Functional gene diversity in bottom water and sediment layers is higher than in surface layers. Additionally, functional potentials of antibiotic resistance, organic contaminant degradation, and pigment genes are stronger in water than in sediment, while those of nitrogen cycling and microbial defense increased with depth. The surface sediment layer and surface water layer have the greatest metabolic potential for the carbon cycle and organic pollutant degradation processes, respectively. The middle sediment layer has the highest potential for the nitrogen and phosphorus cycles.