bluuebunny/crossref_metadata_2025_split huggingface dataset:
Hydrodynamics and morphologies of droplets coalescence on fiber
Authors: Zhang Yan , Yan Shenglin , Yang Xiaoyong , Bai Zhishan 
Published: March 2022

AbstractFiber coalescence is an effective oil–water separation technology. In this article, the micro‐coalescence process of droplets on fiber was studied through high‐speed camera technology, and the hydrodynamics and morphology evolution in the process of droplet‐fiber coalescence were explored and compared with non‐fiber system. The results show that the change of the droplet surface morphology is local at the initial stage of the coalescence process. The droplet morphology changes obviously near the neck. The growth rate of the liquid bridge and the propagation speed of capillary wave in droplet‐fiber system are higher than those in non‐fiber system. At 0.8 ms, the capillary waves' polar angle difference between the two conditions reaches 10.44°. There is an obvious periodicity and damping attenuation mechanism in the oscillation process. In the droplet‐fiber system, the oscillation process attenuates faster and the average oscillation period is shorter. The droplet relaxes to a stable state more quickly.
Psychological distress and suicidal ideation among male construction workers in the United States
Authors: Dong Xiuwen Sue , Brooks Raina D. , Brown Samantha , Harris William 
Published: February 2022

AbstractBackgroundMale workers in the US construction industry have a higher suicide rate than other workers in the nation. However, related research on this population remains sparse. This study evaluated psychological distress and suicidal ideation in these workers, and possible underlying factors.MethodsData from the National Survey of Drug Use and Health from 2008 to 2014 were analyzed. Stratified and multiple logistic regression analyses were conducted to examine factors associated with psychological distress and suicidal ideation among male construction workers aged ≥18 years (n = 12,034).ResultsNearly one‐third (29.6%) of male construction workers in the United States experienced psychological distress (23.8% graded as moderate, 5.8% as severe), and 2.5% reported suicidal ideation in the past year. Higher odds of serious psychological distress and suicidal ideation were found among workers who were younger, worked part‐time, missed workdays due to injury or illness, or were in poor health. Illicit opioid use (odds ratio [OR] = 1.87, 95% confidence interval [CI]: 1.22–2.89) and alcohol dependence or abuse (OR = 2.64, 95% CI: 1.74–3.99) significantly escalated the odds of suicidal ideation. The odds of suicidal ideation among workers with serious psychological distress were 33 times higher than those having no or minor psychological distress (OR = 32.91, 95% CI: 19.82–54.65) when other factors were constant.ConclusionsOccupational and nonoccupational factors were associated with constructionworkers’ psychological distress and suicidal ideation. Both illicit opioid use and alcohol dependence or abuse were risk factors, and psychological distress was a strong predictor for suicidal ideation. To improve workers’ mental health, it is necessary to integrate workplace injury prevention with illicit opioid‐use reduction programs and suicide prevention.
Untersuchung des reaktiven Intermediats der RNA Autohydrolyse mittels kryogener Infrarotspektroskopie in der Gasphase
Authors: Greis Kim , Kirschbaum Carla , Taccone Martín I. , Götze Michael , Gewinner Sandy , Schöllkopf Wieland , Meijer Gerard , von Helden Gert , Pagel Kevin 
Published: March 2022

AbstractIm Laufe der COVID‐19 Pandemie haben mRNA‐basierte Impfstoffe an immenser Bedeutung gewonnen. Massenspektrometrie ist für die Entwicklung und Analyse von modifizierten RNA Molekülen unerlässlich, setzt jedoch ein grundlegendes Verständnis über Fragmentierungsprozesse voraus. Analog zu der Zersetzung von RNA in Lösung durch Autohydrolyse, kann die Spaltung des RNA Rückgrats ebenso in der Gasphase stattfinden. Bislang sind die Fragmentierungsmechanismen jedoch unzureichend untersucht. In dieser Arbeit wurden Intermediate aus isolierten RNA Dinukleotiden in der Gasphase generiert und mittels kryogener Infrarotspektroskopie in Helium‐Nanotröpfchen untersucht. Die experimentellen Daten, unterstützt durch Dichtefunktionaltheorie, liefern Hinweise dafür, dass die Bildung eines fünfgliedrigen zyklischen Phosphat‐Intermediats begünstigt ist, während lineare oder sechsgliedrige Strukturen ausgeschlossen werden können. Weiterhin zeigen die Experimente, dass eine zusätzliche, bekannte Reaktion von RNA Nukleotiden in Lösung auch in der Gasphase induziert werden kann: die Tautomerisierung von Cytosin. Die beiden beobachteten Reaktionen spiegeln daher universelle und intrinsische Eigenschaften der untersuchten Moleküle wider.
Conjugated Polyelectrolyte‐Based Complex Fluids as Aqueous Exciton Transport Networks
Authors: Johnston Anna R. , Minckler Eris D. , Shockley Mia C. J. , Matsushima Levi N. , Perry Sarah L. , Ayzner Alexander L. 
Published: March 2022

AbstractThe ability to assemble artificial systems that mimic aspects of natural light‐harvesting functions is fascinating and attractive for materials design. Given the complexity of such a system, a simple design pathway is desirable. Here, we argue that associative phase separation of oppositely charged conjugated polyelectrolytes (CPEs) can provide such a path in an environmentally benign medium: water. We find that complexation between an exciton–donor and acceptor CPE leads to formation of a complex fluid. We interrogate exciton transfer from the donor to the acceptor CPE within the complex fluid and find that transfer is highly efficient. We also find that excess molecular ions can tune the modulus of the inter‐CPE complex fluid. Even at high ion concentrations, CPEs remain complexed with significantly delocalized electronic wavefunctions. Our work lays the rational foundation for complex, tunable aqueous light‐harvesting systems via the intrinsic thermodynamics of associative phase separation.
Solvent‐Controlled Condensation of [Mo2O5(PTC4A)2]6− Metalloligand in Stepwise Assembly of Hexagonal and Rectangular Ag18 Nanoclusters
Authors: Wang Zhi , Li Li , Feng Lei , Gao Zhi‐Yong , Tung Chen‐Ho , Zheng Lan‐Sun , Sun Di 
Published: March 2022

AbstractStepwise assembly starting from a preassembled metalloligand is a promising approach to obtain otherwise unattainable silver nanoclusters, but hard to be intrinsically identified due to the lack of convincing evidence to justify such a process. Herein, hexagonal and rectangular Ag18 nanoclusters are constructed from the [Mo2O5(PTC4A)2]6− (H4PTC4A=p‐phenyl‐thiacalix[4]arene) metalloligand through stepwise assembly. The formation of the metalloligand is confirmed by electrospray ionization mass spectrometry, then assembled with silver ions to form two geometrically different Ag18 nanoclusters in different solvents. The cyclization from the metalloligand to [(Mo2O5PTC4A)6]12− can be realized without alcohols and otherwise blocked by them. The installation of this metalloligand not only provides comprehensive understanding of how the solvents regulate the silver nanocluster structures, but also brings new insights for the controllable ligand metallization and subsequent condensation.
Synthese N‐heterocyclischer Carbene und ihrer Komplexe durch Chloroniumionabstraktion von 2‐Chlorazoliumsalzen mit elektronenreichen Phosphanen
Authors: Böhme Matthias D. , Eder Tobias , Röthel Maike B. , Dutschke Patrick D. , Wilm Lukas F. B. , Hahn F. Ekkehardt , Dielmann Fabian 
Published: March 2022

AbstractNHCs werden konventionell durch Deprotonierung von Azoliumsalzen mit starken anionischen Basen synthetisiert. Diese Reaktion ist oft unselektiv und kann zu Alkalimetall‐Komplexen der NHCs oder zu dimerisierten NHCs führen. Alternativ können NHCs durch Dechlorierung von 2‐Chlorazoliumsalzen mit elektronenreichen Phosphanen erhalten werden. PPh3, PCy3 und PtBu3 sind ungeeignet für die Cl+‐Abstraktion, während das sterisch anspruchsvolle Tris(1,3‐tert‐butylimidazolidin‐2‐ylidenamino)phosphan 1 selektiv Cl+ von 2‐Chlorazoliumsalzen entfernt. Da das sterisch anspruchsvolle 1 nicht an Metallkomplexe bindet, wurde es für die Synthese von NHC‐Komplexen durch in‐situ‐Chloroniumabstraktion von 2‐Chlorazoliumsalzen eingesetzt. Die Dechlorierung wurde auch für die regioselektive Monometallierung einer Bis‐NHC‐Ligandenvorstufe bestehend aus einer 2‐Chlorbenzimidazolium‐ und einer 2‐Chlorbenzimidazolgruppe mit IrI, IrIII, RhI, RhIII und RuII eingesetzt, gefolgt von der Synthese des heterobimetallischen IrIII/PdII‐Komplexes [18](BF4)2 in einer Dechlorierung/Oxidative‐Addition‐Reaktionssequenz.
Surface area‐enhanced flower‐shaped hair protein‐supported palladium nanoparticles as sono‐photocatalyst towards carbon–carbon bond forming reaction
Authors: Devi Priya Duraipandi , Athira Chenichery Cheruvarekil , Mohana Roopan Selvaraj 
Published: March 2022

The present work has successfully highlighted the synthesis of HHP/Pd nano‐sized particles carried out by using hair protein as a capping/stabilizing/reducing agent. Morphology of HHP@Pd nanoparticle was analysed by XRD, SEM, XPS, BET, TGA, TEM, EDX, FT‐IR and zeta potential. TEM image of HHP/Pd nanoparticles, flower shape at the average size of 3.4 nm, was observed. Additionally, we investigated the catalytic property of HHP/Pd nanoparticles in the Suzuki coupling (CC) reaction which is considered to be the most important coupling reaction in terms of organic synthesis. The reaction was optimized using response surface methodology (RSM). Here, we synthesized several types of coupling derivatives by various substituted boronic acids. The synthesized compounds were further confirmed using 1H, 13C NMR and HR‐MS analysis. The catalyst shows high catalyst activity to Suzuki coupling reactions under moderate responses. For all reactions, the HHP/Pd nanoparticle catalyst displayed excellent catalytic activity (>90%) with a wide range of substrates and provided five recycling runs without loss of activity.
Stabilization control of quadrotor helicopter through matching solution by controlled Lagrangian method
Authors: Liu Ce 
Published: March 2022

AbstractThis paper implements the controlled Lagrangian method on nonlinear quadrotor system with two degrees of underactuation. A Lagrangian system based on virtual angles is developed for the quadrotor. Based on the model, the matching conditions presented by nonlinear partial differential equations are explicitly solved for the nonlinear quadrotor system without decoupling or division. Besides, it is demonstrated that a constant controlled kinetic matrix could be utilized for energy shaping and simplify the matching conditions since gyroscopic force terms are omitted. Smooth state feedback control laws guaranteeing asymptotic stability of quadrotor system are obtained. Stability analysis and range of the control parameters are deduced based on the reshaped closed‐loop energy. Simulation for a quadrotor helicopter shows the feasibility and efficiency of the theoretical results.
Forecasting aviation safety occurrences
Authors: Flores Bruno , Rios Insua David , Alfaro Cesar , Gomez Javier 
Published: February 2022

AbstractWe present a general framework for aviation safety occurrence forecasting. This is a major component of a methodology for aviation safety risk management at national level. It covers novel models as well as novel combinations of earlier models. Having good quality occurrence and severity forecasting models is paramount to properly manage risks, maintain the confidence of its users and preserve the status of aviation as a safe transportation mode. The problem is involved due to the presence of complex effects like seasonality, trends, or stress that impact the rates of various occurrences and the uncertainty about future number of operations.
Population pharmacokinetics of tacrolimus in Chinese adult liver transplant patients
Authors: Teng Fei , Zhang Weiyue , Wang Wei , Chen Jiani , Liu Shiyi , Li Mingming , Li Lujin , Guo Wenyuan , Wei Hua 
Published: February 2022

AbstractTacrolimus is widely used in organ transplantation to prevent rejection. However, the narrow therapeutic window and the large inter‐and intra‐individual variability in the pharmacokinetics (PK) of tacrolimus make it difficult for individualization of dosing. This study aimed at developing a population pharmacokinetic model for estimating the oral clearance of tacrolimus in Chinese liver transplant patients, and identifying factors that contribute to the PK variability of tacrolimus. Data of 151 liver transplant patients who received tacrolimus were analyzed in this study. The population PK model was analyzed and the covariates including population demographic and biochemical characteristics, drug combination, and genetic polymorphism were explored using non‐linear mixed‐effects modeling approach. A single‐compartment population PK model was developed, and the final model was CL/F = (14.6–2.38 × cytochrome P450 (CYP) 3A5−3.72 × WZC+1.04 × (POD/9)+2.48 × COR) × Exp(ηi), where CYP3A5 was 1 for CYP3A5*3/*3, Wuzhi Capsule (WZC) was 1 when patients took tacrolimus combined with WZC, otherwise it was 0, corticosteroids (COR) was 1 when patients take tacrolimus combined with COR, otherwise, it was 0, POD was the post‐operative day. Visual inspection and bootstrap indicated that the final model was stable and robust. In this study, we developed the first tacrolimus population PK model in Chinese adult liver transplant patients. We first determined the influence of WZC on tacrolimus in these people, which could provide useful PK information for the drug combination of tacrolimus and WZC. We also revealed the influence of genetic polymorphism of CYP3A5, POD, and a combination of COR on tacrolimus PK. Therefore, these significant factors should be taken into consideration in optimizing dosage regimens.
The role of plant‐derived natural antioxidants in reduction of oxidative stress
Authors: Akbari Behnaz , Baghaei‐Yazdi Namdar , Bahmaie Manochehr , Mahdavi Abhari Fatemeh 
Published: March 2022

AbstractFree radicals are a group of damaging molecules produced during the normal metabolism of cells in the human body. Exposure to ultraviolet radiation, cigarette smoking, and other environmental pollutants enhances free radicals in the human body. The destructive effects of free radicals may also cause harm to membranes, enzymes, and DNA, leading to several human diseases such as cancer, atherosclerosis, malaria, coronavirus disease (COVID‐19), rheumatoid arthritis, and neurodegenerative illnesses. This process occurs when there is an imbalance between free radicals and antioxidant defenses. Since antioxidants scavenge free radicals and repair damaged cells, increasing the consumption of fruits and vegetables containing high antioxidant values is recommended to slow down oxidative stress in the body. Additionally, natural products demonstrated a wide range of biological impacts such as anti‐inflammatory, anti‐aging, anti‐atherosclerosis, and anti‐cancer properties. Hence, in this review article, our goal is to explore the role of natural therapeutic antioxidant effects to reduce oxidative stress in the diseases.
Wild honey poisoning: A case report from western Nepal
Authors: Paudel Anuj Krishna , Pokhrel Amrit , Gaire Suman , Paudel Ananta Hari , Poudel Sujan , Paudel Suman , Cueva Wilson , Michel George J. 
Published: March 2022

AbstractWild honey has been used for several purposes in South‐Asia and Eastern Europe since long ago. One of the commonest is medicinal purposes, especially for gastrointestinal disorders (peptic ulcer disease, dyspepsia, and gastritis), hypertension, and an aphrodisiac (sexual stimulant). However, honey produced from the nectar of few rhododendron species contains a toxin known as grayanotoxin, which acts on the sodium channel and prevents its inactivation leading to vagal activation, causing hypotension and bradycardia. Here, we report a case of 55 years woman who reported to our Emergency Department with complaints of dizziness and vomiting as well as bradycardia and hypotension. Most of the cases of wild honey poisoning resolve within the first 24 h, but in our case, the symptoms persisted for 72 h. So, we must observe patients for 72 h as some cases may last longer. Timely management of the patient can prevent fatal complications.
DoE‐Driven Development of an Organocatalytic Enantioselective Addition of Acetaldehyde to Nitrostyrenes in Water**
Authors: Nori Valeria , Sinibaldi Arianna , Giorgianni Giuliana , Pesciaioli Fabio , Di Donato Francesca , Cocco Emanuele , Biancolillo Alessandra , Landa Aitor , Carlone Armando 
Published: March 2022

AbstractThe development of an enantioselective enamine‐catalysed addition of masked acetaldehyde to nitroalkenes via a rational approach helped to move away from the use of chloroform. The presented research allows the use of water as a reaction medium, therefore improving the industrial relevance of a protocol to access very important pharmaceutical intermediates. Critical to the success is the use of chemometrics‐assisted ‘Design of Experiments’ (DoE) optimisation during the development of the presented new synthetic approach, which allows to investigate the chemical space in a rational way.
Decoration Strategy in Para Boron Position: An Effective Way to Achieve Ideal Multi‐Resonance Emitters
Authors: Fan Tianjiao , Zhang Yuewei , Zhang Dongdong , Duan Lian 
Published: March 2022

AbstractNarrowband, full‐color, and quenching‐resistant emitters are urgently needed for the next generation high‐resolution displays. Though the flourishment of narrowband multiple resonance (MR) emitters in blue region, these materials still face thorny challenges such as effective light‐color regulation strategies and concentration‐induced spectral broadening/emission quenching. Herein, the research status of an effective “decoration strategy for para B position” is highlighted. On one hand, the introduction of an electron donor or acceptor could induce a hypsochromic‐ or bathochromic‐shift emission, respectively, without undesirable FWHM broadening. On the other hand, a more advanced molecular motif is further proposed through adopting a peripheral benzene ring on the para position of the B‐substituted phenyl in MR core to construct the high‐purity, high‐efficiency, quenching‐resistant and stable MR emitters. Such concept is expected to provide a possible way for the modification, optimization and expansion of MR emitters to meet more possible applications.
Hetero‐Substituted αβ‐Fused BODIPY
Authors: Ceugniet Fabien , Huaulmé Quentin , Sutter Alexandra , Jacquemin Denis , Leclerc Nicolas , Ulrich Gilles 
Published: March 2022

AbstractHere, we report the synthesis and properties of heterosubtituted αβ‐fused BODIPY fluorophores. The compounds were obtained in good yields by sequential and selective Stille cross‐coupling reactions from 2,3,5,6‐tetrahalo‐BODIPY, allowing the introduction of different substituents at the 3,5 and 2,6 positions of the BODIPY ring. The final fused compounds were synthesized using oxidative cyclisation with ferrous chloride. The fully fused compounds show a strong bathochromically shifted emission along with a hyperchromic shift of the absorption maxima. The fluorescence quantum yields remain relatively large for compounds emitting in this wavelength range. Computational studies have been carried out to fully understand the photophysical behaviour of these dyes.
Relativistic Spin–Orbit Electronegativity and the Chemical Bond Between a Heavy Atom and a Light Atom
Authors: Cuyacot Ben Joseph R. , Novotný Jan , Berger Raphael J. F. , Komorovsky Stanislav , Marek Radek 
Published: March 2022

AbstractRelativistic effects are known to alter the chemical bonds and spectroscopic properties of heavy‐element compounds. In this work, we introduce the concept of spin–orbit (SO) electronegativity of a heavy atom, as reflected by an SO‐induced change in the interatomic distance between the heavy atom (HA) and a neighboring light atom (LA). We provide a transparent interpretation of these SO effects by using the concept of spin–orbit electron deformation density (SO‐EDD). Spin–orbit coupling at the HA induces rearrangement of the electron density for the scalar‐relativistically optimized geometry that, in turn, exerts a new force on the LA. The resulting expansion or contraction of the HA−LA bond depends on the nature and electron configuration of the HA. In addition, we quantify the change in atomic electronegativity induced by SO coupling for a series of hydrides, thereby complementing the SO‐EDD picture. The trends in the SO‐induced electronegativity and the HA−LA bond length across the periodic table of elements are demonstrated and interpreted, and also linked, intuitively, with the SO‐induced NMR shielding at the LA.
Comparative Study on Mechanistic Kinetic Modeling of the Enzymatic Synthesis of Galacto‐Oligosaccharides
Authors: Mueller Ines , Runne Eike , Hamel Christof 
Published: March 2022

AbstractThe galacto‐oligosaccharide synthesis by β‐galactosidase from Bacillus circulans is described mathematically using three kinetic models of different complexity – a simple power law approach, an extended Michaelis Menten kinetics and, in particular, an advanced, innovative mechanistic kinetic model for biocatalysis. Based on a detailed experimental study, a comprehensive reaction network is identified, and a reliable database provided. The evaluation of the kinetic models studied is performed by the Akaike information criterion, which allows the assessment of the model accuracy taking into account complexity and transferability.
Improving automated Turkish text classification with learning‐based algorithms
Authors: Köksal Ömer , Yılmaz Eyüp Halit 
Published: February 2022

AbstractText classification is the process of determining categories or tags of a document depending on its content. Although text classification is a well‐known process, it has many steps that require tuning to improve mathematical models. This article provides a novel methodology and expresses key points to improve text classification performance using learning‐based algorithms and techniques. First, to check the effectiveness of the proposed methodology, we selected two public Turkish news benchmarking datasets. Then, we performed extensive testing using both supervised machine learning algorithms and state‐of‐art pre‐trained language models. The experimental results show that our methodology outperforms previous news classification studies on these benchmarking datasets improving categorization results based on F1‐score. Therefore, we conclude that the presented methodology efficiently improves the classification results and selects the feasible classifier for a given dataset.