bluuebunny/crossref_metadata_2025 huggingface dataset:
Analysis of Body Mass Index in Early and Middle Adulthood and Estimated Risk of Gastrointestinal Cancer
Authors: Loomans-Kropp Holli A. , Umar Asad
Published: May 2023

Importance

In a population with significantly increasing rates of individuals with overweight or obesity, understanding the association of obesity with long-term disease risk, such as cancer, is necessary to improve public health.

Objective

To investigate the association between body mass index (BMI) and gastrointestinal (GI) cancer risk (colorectal cancer [CRC] and noncolorectal GI cancer) in the Prostate, Lung, Colorectal, and Ovarian (PLCO) Cancer Screening Trial.

Design, Setting, and Participants

This retrospective cohort study was a secondary analysis of data from the PLCO Cancer Screening Trial. Participants aged 55 to 74 years were enrolled and randomized to the intervention (screening group) or control group at 10 screening centers between November 8, 1993, and July 2, 2001. The initial analysis of PLCO Cancer Screening Trial data occurred after 13 years of follow-up or December 31, 2009, whichever came first. Participants were reconsented in 2011 and either continued follow-up or refused additional follow-up. For those who reconsented, follow-up for incident cancers continued until December 31, 2014, or death, whichever occurred first. Data analysis for this secondary analysis was performed from April 2022 through November 2022.

Exposures

Body mass index and aspirin use, defined as the frequency of use of aspirin or aspirin-containing substances in the last 12 months.

Main Outcomes and Measures

The primary outcomes were the diagnoses of CRC and noncolorectal GI cancer. The association between BMI and cancer (CRC and noncolorectal GI cancer) was assessed using Cox proportional hazards regression modeling. The association between cancer risk and change in BMI was further analyzed at different ages, and an exploratory analysis was performed to evaluate GI cancer risk among aspirin users.

Results

This analysis included 135 161 participants (median [range] age, 62 [55-78] years; 67 643 [50.0%] female). Overweight BMI in early adulthood (hazard ratio [HR], 1.23; 95% CI, 1.10-1.37) and overweight BMI in middle adulthood (HR, 1.23; 95% CI, 1.13-1.34) and later adulthood (HR, 1.21; 95% CI, 1.10-1.32) as well as obese BMI in middle adulthood (HR, 1.55; 95% CI, 1.38-1.75) and later adulthood (HR, 1.39; 95% CI, 1.25-1.54) were associated with increased risk of CRC. Similar results were observed for the association with overall GI and non-CRC GI risk and BMI in middle and later adulthood. Maintaining overweight or obese BMI or increasing BMI to overweight or obese in later adulthood was also associated with increased CRC risk. Aspirin use 3 or more times per week did not significantly modify this association.

Conclusions and Relevance

In this secondary analysis of the PLCO Cancer Screening Trial, overweight and obese BMI in early and middle adulthood was associated with an elevated risk of CRC and noncolorectal GI cancers. The results of the current study prompt further exploration into the mechanistic role of obese BMI in carcinogenesis.
The synthetic oleanane triterpenoid CDDO‐2P‐Im binds GRP78/BiP to induce unfolded protein response‐mediated apoptosis in myeloma
Authors: Luo George , Aldridge Kristin , Chen Toby , Aslot Vivek , Kim Byung‐Gyu , Han Eun Hyang , Singh Neelima , Li Sai , Xiao Tsan Sam , Sporn Michael B. , Letterio John J.
Published: May 2023

Synthetic oleanane triterpenoids (SOTs) are small molecules with broad anticancer properties. A recently developed SOT, 1‐[2‐cyano‐3,12‐dioxooleana‐1,9(11)‐dien‐28‐oyl]‐4(‐pyridin‐2‐yl)‐1H‐imidazole (CDDO‐2P‐Im or ‘2P‐Im’), exhibits enhanced activity and improved pharmacokinetics over CDDO‐Im, a previous generation SOT. However, the mechanisms leading to these properties are not defined. Here, we show the synergy of 2P‐Im and the proteasome inhibitor ixazomib in human multiple myeloma (MM) cells and 2P‐Im activity in a murine model of plasmacytoma. RNA sequencing and quantitative reverse transcription PCR revealed the upregulation of the unfolded protein response (UPR) in MM cells upon 2P‐lm treatment, implicating the activation of the UPR as a key step in 2P‐Im‐induced apoptosis. Supporting this hypothesis, the deletion of genes encoding either protein kinase R‐like endoplasmic reticulum kinase (PERK) or DNA damage‐inducible transcript 3 protein (DDIT3; also known as CHOP) impaired the MM response to 2P‐Im, as did treatment with ISRIB, integrated stress response inhibitor, which inhibits UPR signaling downstream of PERK. Finally, both drug affinity responsive target stability and thermal shift assays demonstrated direct binding of 2P‐Im to endoplasmic reticulum chaperone BiP (GRP78/BiP), a stress‐inducible key signaling molecule of the UPR. These data reveal GRP78/BiP as a novel target of SOTs, and specifically of 2P‐Im, and suggest the potential broader utility of this class of small molecules as modulators of the UPR.
Multifunctional Metamaterials with Ultrawideband Wave Absorption and Thermal Camouflage
Authors: Xing Xiaochang , Wu Lingling , Tian Xiaoyong , Li Dichen
Published: May 2023

Objects can be identified based on their distinctive scattering signatures in multiple physical areas such as optics, electromagnetics, and thermotics. To ensure comprehensive stealth and camouflage capabilities, antisense devices with multiphysical field coupling are highly desired. Herein, a multifunctional antisense metadevice that achieves stealth in the microwave band while also generating multiple camouflage images from the original object's position during the heat conduction process is proposed and demonstrated. The metadevice combines both antimicrowave detection and camouflage infrared imaging capabilities, resulting in broadband electromagnetic stealth and thermal camouflage effect. Experimental and simulation results confirm the metadevice's ability to achieve these multifunctional capabilities in temperature‐dependent cases. The development of such multifunctional devices that span physical fields provides new avenues for the design and preparation of multifunctional structures.
Ultrahigh‐Loading Manganese‐Based Electrodes for Aqueous Batteries via Polymorph Tuning
Authors: Xiao Xin , Zhang Zewen , Wu Yecun , Xu Jinwei , Gao Xin , Xu Rong , Huang Wenxiao , Ye Yusheng , Oyakhire Solomon T. , Zhang Pu , Chen Baoliang , Cevik Emre , Asiri Sarah M , Bozkurt Ayhan , Amine Khalil , Cui Yi
Published: May 2023

Manganese‐based aqueous batteries utilizing Mn2+/MnO2 redox reactions are promising choices for grid‐scale energy storage due to their high theoretical specific capacity, high power capability, low‐cost, and intrinsic safety with water‐based electrolytes. However, the application of such systems is hindered by the insulating nature of deposited MnO2, resulting in low normalized areal loading (0.005–0.05 mAh cm−2) during the charge/discharge cycle. In this work, the electrochemical performance of various MnO2 polymorphs in Mn2+/MnO2 redox reactions is investigated, and ɛ‐MnO2 with low conductivity is determined to be the primary electrochemically deposited phase in normal acidic aqueous electrolyte. It is found that increasing the temperature can change the deposited phase from ɛ‐MnO2 with low conductivity to γ‐MnO2 with two order of magnitude increase in conductivity. It is demonstrated that the highly conductive γ‐MnO2 can be effectively exploited for ultrahigh areal loading electrode, and a normalized areal loading of 33 mAh cm−2 is achieved. At a mild temperature of 50 °C, cells are cycled with an ultrahigh areal loading of 20 mAh cm−2 (1–2 orders of magnitude higher than previous studies) for over 200 cycles with only 13% capacity loss.
A Computationally Assisted Approach for Designing Wearable Biosensors toward Non‐Invasive Personalized Molecular Analysis
Authors: Mukasa Daniel , Wang Minqiang , Min Jihong , Yang Yiran , Solomon Samuel A. , Han Hong , Ye Cui , Gao Wei
Published: May 2023

Wearable sweat sensors have the potential to revolutionize precision medicine as they can non‐invasively collect molecular information closely associated with an individual's health status. However, the majority of clinically relevant biomarkers cannot be continuously detected in situ using existing wearable approaches. Molecularly imprinted polymers (MIPs) are a promising candidate to address this challenge but haven't yet gained widespread use due to their complex design and optimization process yielding variable selectivity. Here, QuantumDock is introduced, an automated computational framework for universal MIP development toward wearable applications. QuantumDock utilizes density functional theory to probe molecular interactions between monomers and the target/interferent molecules to optimize selectivity, a fundamentally limiting factor for MIP development toward wearable sensing. A molecular docking approach is employed to explore a wide range of known and unknown monomers, and to identify the optimal monomer/cross‐linker choice for subsequent MIP fabrication. Using an essential amino acid phenylalanine as the exemplar, experimental validation of QuantumDock is performed successfully using solution‐synthesized MIP nanoparticles coupled with ultraviolet–visible spectroscopy. Moreover, a QuantumDock‐optimized graphene‐based wearable device is designed that can perform autonomous sweat induction, sampling, and sensing. For the first time, wearable non‐invasive phenylalanine monitoring is demonstrated in human subjects toward personalized healthcare applications.
Additive Manufacturing of Thermoelectric Microdevices for 4D Thermometry
Authors: Lee Heekwon , Wang Zhuoran , Rao Qing , Lee Sanghyeon , Huan Xiao , Liu Yu , Yang Jihyuk , Chen Mojun , Ki Dong‐Keun , Kim Ji Tae
Published: May 2023

Thermometry, the process of measuring temperature, is one of the most fundamental tasks not only for understanding the thermodynamics of basic physical, chemical, and biological processes but also for thermal management of microelectronics. However, it is a challenge to acquire microscale temperature fields in both space and time. Here, a 3D printed micro‐thermoelectric device that enables direct 4D (3D Space + Time) thermometry at the microscale is reported. The device is composed of freestanding thermocouple probe networks, fabricated by bi‐metal 3D printing with an outstanding spatial resolution of a few µm. It shows that the developed 4D thermometry can explore dynamics of Joule heating or evaporative cooling on microscale subjects of interest such as a microelectrode or a water meniscus. The utilization of 3D printing further opens up the possibility to freely realize a wide range of on‐chip, freestanding microsensors or microelectronic devices without the design restrictions by manufacturing processes.
Control of Enzyme Reactivity in Response to Osmotic Pressure Modulation Mimicking Dynamic Assembly of Intracellular Organelles
Authors: Schvartzman Clémence , Zhao Hang , Ibarboure Emmanuel , Ibrahimova Vusala , Garanger Elisabeth , Lecommandoux Sébastien
Published: May 2023

In response to variations in osmotic stress, in particular to hypertonicity associated with biological dysregulations, cells have developed complex mechanisms to release their excess water, thus avoiding their bursting and death. When water is expelled, cells shrink and concentrate their internal bio(macro)molecular content, inducing the formation of membraneless organelles following a liquid–liquid phase separation (LLPS) mechanism. To mimic this intrinsic property of cells, functional thermo‐responsive elastin‐like polypeptide (ELP) biomacromolecular conjugates are herein encapsulated into self‐assembled lipid vesicles using a microfluidic system, together with polyethylene glycol (PEG) to mimic cells’ interior crowded microenvironment. By inducing a hypertonic shock onto the vesicles, expelled water induces a local increase in concentration and a concomitant decrease in the cloud point temperature (Tcp) of ELP bioconjugates that phase separate and form coacervates mimicking cellular stress‐induced membraneless organelle assemblies. Horseradish peroxidase (HRP), as a model enzyme, is bioconjugated to ELPs and is locally confined in coacervates as a response to osmotic stress. This consequently increases local HRP and substrate concentrations and accelerates the kinetics of the enzymatic reaction. These results illustrate a unique way to fine‐tune enzymatic reactions dynamically as a response to a physiological change in isothermal conditions.
Chemoselective Cyclodehydration of α‐Acyl‐β‐arylaminoacrylamides Using Hendrickson Reagent: Access to Polysubstituted 4‐Aminoquinolines and Diazaphenacenes
Authors: Hu Jiana , Bhujanga Rao Chitturi , Wang Yu , Zhang Rui , Li Jiacheng , Ye Xuebei , Dong Dewen
Published: May 2023

A chemoselecive cyclodehydration of α‐acyl‐β‐arylaminoacrylamides via an electrophilic activation strategy has been described. A series of substituted 4‐aminopyridines are chemoselectively prepared in 73–92% yields from α‐acyl‐β‐arylaminoacrylamides activated by hexaphenyloxodiphosphonium triflate (Hendrickson reagent), whereas substituted diaza[n]phenacenes (n=4–6) are obtained in 72–93% yields directly from α‐acyl‐β‐arylaminoacrylamides using Hendrickson reagent in combination with triflic anhydride (Tf2O). The synthetic protocols feature with readily available starting materials, mild reaction conditions, simple execution, and wide range of synthetic potential of products.
The Asymmetric Construction α‐CF2H Pyrrolidine via 1,3‐Dipolar Cycloaddition of N‐2,2‐Difluoroethylthioisatin Ketoimines with Meldrum's Acid Derived Electron‐Deficient Olefins
Authors: Sun Shuo , Deng Yabo , Chen Danna , Guo Hai , Sun Mengmeng , He Honghua , Yan Wenjin , Huang Jinqi
Published: May 2023

We report here a directly catalytic asymmetric method in the construction of CF2H‐containing pyrrolidines. A variety of enantioenriched difluoromethylated pyrrolidine (34 examples, up to 97% ee) were obtained on a 1, 3‐dipole cycloaddition model. The subsequent hydrolysis reaction provides a new difluoromethyl substituted fused ring compound which has certain anticancer activity.
Unterscheidung der enantiotopen Seiten von strukturell unvoreingenommenen Carbeniumionen unter Verwendung einer cyclohexadienbasierten, chiralen Hydridquelle
Authors: Wolff Benedikt , Qu Zheng‐Wang , Grimme Stefan , Oestreich Martin
Published: May 2023

Es wird eine enantioselektive Reduktion von einfachen Carbeniumionen mit Cyclohexadienen, die eine hydridische C‐H‐Bindung an einem asymmetrisch substituierten Kohlenstoffatom tragen, vorgestellt. Die grundlegende Reaktion ist eine Transferhydrierung von Alkenen (Styrolen), bei der ausschließlich chirale Cyclohexadiene als Diwasserstoffsurrogate Anwendung finden. Das Tritylkation wird als Initiator dieses Brønsted‐Säure‐katalysierten Verfahrens eingesetzt, bei dem ein schwieriges intermolekulares Abfangen einer Carbeniumionenzwischenstufe durch die bereits erwähnte Hydridquelle enantioselektivitätsbestimmend ist. Lediglich nichtkovalente Wechselwirkungen begünstigen einen der Übergangszustände energetisch, was zu guten Enantiomerenverhältnissen der Hydrierungsprodukte führt. Der berechnete Reaktionsmechanismus sowie frühere Erkenntnisse aus Studien zu anderen Transferhydrierungsmethoden auf der Grundlage der Cyclohexadienplattform stützen die vorliegenden Ergebnisse.
Highly Efficient Electrochemical Nitrate Reduction to Ammonia in Strong Acid Conditions with Fe2M‐Trinuclear‐Cluster Metal–Organic Frameworks
Authors: Lv Yang , Ke Si‐Wen , Gu Yuming , Tian Bailin , Tang Lingyu , Ran Pan , Zhao Yue , Ma Jing , Zuo Jing‐Lin , Ding Mengning
Published: May 2023

Nitrate‐containing industrial wastewater poses a serious threat to the global food security and public health safety. As compared to the traditional microbial denitrification, electrocatalytic nitrate reduction shows better sustainability with ultrahigh energy efficiency and the production of high‐value ammonia (NH3). However, nitrate‐containing wastewater from most industrial processes, such as mining, metallurgy, and petrochemical engineering, is generally acidic, which contradicts the typical neutral/alkaline working conditions for both denitrifying bacteria and the state‐of‐the‐art inorganic electrocatalysts, leading to the demand for pre‐neutralization and the problematic hydrogen evaluation reaction (HER) competition and catalyst dissolution. Here, we report a series of Fe2M (M=Fe, Co, Ni, Zn) trinuclear cluster metal–organic frameworks (MOFs) that enable the highly efficient electrocatalytic nitrate reduction to ammonium under strong acidic conditions with excellent stability. In pH=1 electrolyte, the Fe2Co‐MOF demonstrates the NH3 yield rate of 20653.5 μg h−1 mg−1site with 90.55 % NH3‐Faradaic efficiency (FE), 98.5 % NH3‐selectivity and up to 75 hr of electrocatalytic stability. Additionally, successful nitrate reduction in high‐acidic conditions directly produce the ammonium sulfate as nitrogen fertilizer, avoiding the subsequent aqueous ammonia extraction and preventing the ammonia spillage loss. This series of cluster‐based MOF structures provide new insights into the design principles of high‐performance nitrate reduction catalysts under environmentally‐relevant wastewater conditions.
Discrimination of the Enantiotopic Faces of Structurally Unbiased Carbenium Ions Employing a Cyclohexadiene‐Based Chiral Hydride Source
Authors: Wolff Benedikt , Qu Zheng‐Wang , Grimme Stefan , Oestreich Martin
Published: May 2023

An enantioselective reduction of simple carbenium ions with cyclohexadienes containing a hydridic C−H bond at an asymmetrically substituted carbon atom is disclosed. The net reaction is a transfer hydrogenation of alkenes (styrenes) only employing chiral cyclohexadienes as dihydrogen surrogates. The trityl cation is used to initiate a Brønsted acid‐promoted process, in which a delicate intermolecular capture of a carbenium‐ion intermediate by the aforementioned chiral hydride source is enantioselectivity determining. Exclusively non‐covalent interactions are rendering one of the transition states energetically more favored, giving the reduction products in good enantiomeric ratios. The computed reaction mechanism supports the present findings as well as previous results obtained from studies on other transfer‐hydrogenation methods involving the cyclohexadiene platform.
Workforce training in family therapy and systemic practices: An evaluation framework and case study
Authors: Hameed Mohajer , McIntosh Jennifer , McLean Siân , Vuong An , Welsh Ellen , O'Hanlon Brendan
Published: May 2023

Internationally, while the interdisciplinary field of family therapy and systemic practices is well established and evidence for therapeutic impact is advanced, evaluation of training and measurement of its impact lags behind. This paper addresses this gap, utilising a single case study at the Bouverie Centre, the largest family therapy and workforce development service in Australia. We describe (a) the scope of workforce training and implementation at the Centre, (b) the development of our training research and evaluation framework, and (c) standardised data collection methodology, including a pre‐post training reflective survey. Collectively, this work comprises our current evaluation framework through which we will subsequently examine training impact. Future research and practice recommendations are offered to address challenges to workforce training evaluation and progress efficacy of family therapy training.
Mechanical stability and insulation reliability of polymeric layers constructed by thermal fusion of polymer shell particles heterocoagulated on conductivenickel‐platedcore particles
Authors: Naruhashi Tomonao , Aoki Daisuke , Taniguchi Tatsuo , Karatsu Takashi
Published: May 2023

In this study, the mechanical stability and insulating reliability of polymeric layers constructed on the surface of nickel‐plated particles for anisotropic conductive films were measured by means of a microcompression test. The polymeric layers were constructed by heterocoagulation between the nickel‐plated core particles and the polymeric shell particles and successive thermal fusion. Uniform core‐shell particles with a coverage of approximately 60%–70% were prepared at NaCl concentrations near the critical coagulation concentrations of the shell particles. Continuous polymeric layers were successfully formed by heating the heterocoagulates at a temperature slightly higher than the glass transition temperature of the shell particles. The microcompression test was applied to measure the compression displacement until the heterocoagulates were electrically connected. The larger the shell particles and the higher the coverage of heterocoagualtes, the greater the displacement, reaching a maximum displacement of 0.72 μm for heterocoagulates with shell particles of 217 nm before heating. Heating the heterocoagulates and thermally melting adjacent shell particles could further improve the insulating properties of polymeric layer. Thermal melting of shell particles of heterocoagulates with a coverage more than 60% by 152 or 217 nm shells resulted in the disappearance of zero‐point conductive particles.
8‐Hydroxyquinoline‐functionalized chitosan Schiff base as an efficient and environmentally friendly corrosion inhibitor for N80 steel in acidic environments
Authors: Wu Jing , Wu Juan , Lu Lilin , Mei Ping
Published: May 2023

Chitosan is an environmentally friendly biomolecule with great potential for application in metal corrosion protection. First, Chitosan benzaldehyde schiff base (CTSB) and 8‐hydroxyquinoline functionalized chitosan benzaldehyde schiff base (HQ‐CTSB) were synthesized from chitosan, benzaldehyde, and 8‐hydroxyquinoline as high‐efficiency and environment‐friendly corrosion inhibitors. The structures of the synthesized products were characterized by infrared spectroscopy. The corrosion of N80 steel was tested using electrochemical measurements and analysis by varied concentrations of CTSB and HQ‐CTSB in a hydrochloric acid solution. The PDP results confirmed that both CTSB and HQ‐CTSB corrosion inhibitors were mixed corrosion inhibitors. Furthermore, the EIS findings revealed that the corrosion inhibition efficiency of the two inhibitors was 87.11% and 98.52% at 800 mg/L, respectively. According to SEM and XPS analyses, the CTSB and HQ‐CTSB molecules bonded to the surface of N80 steel and formed a surface protective layer. Density functional theory (DFT) calculations showed that CTSB and HQ‐CTSB have multiple active sites that may become adsorbent on the metal surface. And molecular dynamics (MD) simulations showed that corrosion inhibitors CTSB and HQ‐CTSB lie flat on the surface of Fe(110). The theoretical calculation agreed well with the experimental results.
Synthesis, structure–activity relationship, and biological evaluation of quinolines for development of anticancer agents
Authors: Li Xudong , Ye Fu , Wang Yuran , Sun Xianbin , Chen Hui , Chen Tingyan , Gao Yu , Chen Haijun
Published: May 2023

Tetrahydro‐β‐carbolines (THβCs) are a kind of natural alkaloids with multiple pharmaceutical activities. Herein, a focused compound library derived from THβCs was synthesized and their anticancer activities were studied in several cancer cell lines. Among them, three compounds showed considerable anticancer activities with low micromolar to submicromolar IC50 values. The abilities to induce apoptosis and alter mitochondrial membrane potential levels, which are comparable to those of the commercial anticancer drug adriamycin, were confirmed by one representative compound (21) on the B16/F10 cell line. Our preliminary structure–activity relationship studies indicated that alkylamines with suitable lengths are very important for potency improvement.
Dynamic genome‐scale modeling of Saccharomyces cerevisiae unravels mechanisms for ester formation during alcoholic fermentation
Authors: Scott William T. , Henriques David , Smid Eddy J. , Notebaart Richard A. , Balsa‐Canto Eva
Published: May 2023

Fermentation employing Saccharomyces cerevisiae has produced alcoholic beverages and bread for millennia. More recently, S. cerevisiae has been used to manufacture specific metabolites for the food, pharmaceutical, and cosmetic industries. Among the most important of these metabolites are compounds associated with desirable aromas and flavors, including higher alcohols and esters. Although the physiology of yeast has been well‐studied, its metabolic modulation leading to aroma production in relevant industrial scenarios such as winemaking is still unclear. Here we ask what are the underlying metabolic mechanisms that explain the conserved and varying behavior of different yeasts regarding aroma formation under enological conditions? We employed dynamic flux balance analysis (dFBA) to answer this key question using the latest genome‐scale metabolic model (GEM) of S. cerevisiae. The model revealed several conserved mechanisms among wine yeasts, for example, acetate ester formation is dependent on intracellular metabolic acetyl‐CoA/CoA levels, and the formation of ethyl esters facilitates the removal of toxic fatty acids from cells using CoA. Species‐specific mechanisms were also found, such as a preference for the shikimate pathway leading to more 2‐phenylethanol production in the Opale strain as well as strain behavior varying notably during the carbohydrate accumulation phase and carbohydrate accumulation inducing redox restrictions during a later cell growth phase for strain Uvaferm. In conclusion, our new metabolic model of yeast under enological conditions revealed key metabolic mechanisms in wine yeasts, which will aid future research strategies to optimize their behavior in industrial settings.
Delayed CSF rhinorrhea presenting as a lethal acute bacterial meningitis 5 years post trauma
Authors: Karki Bipin , Acharya Utsav , Pun Bishika , Shrestha Pramesh Sunder
Published: May 2023

Key clinical message

Delayed presentation of cerebrospinal fluid rhinorrhea is rare following head trauma. It is frequently complicated by meningitis if not addressed in time. This report highlights the importance of its timely management, the lack of which can lead to a fatal outcome.

A 33‐year‐old man presented with meningitis in septic shock. He had a history of severe traumatic brain injury 5 years back following which he had a history of intermittent nasal discharge for the past 1 year. On investigation, he was found to have Streptococcus pneumoniae meningitis, and CT scan of his head showed defects in the cribriform plate which established the diagnosis of meningoencephalitis secondary to cerebrospinal fluid rhinorrhea. The patient did not survive despite appropriate antibiotics.
Machine Learning‐Based Filtered Drag Model for Cohesive Gas‐Particle Flows
Authors: Tausendschön Josef , Sundaresan Sankaran , Salehi Mohammadsadegh , Radl Stefan
Published: May 2023

The accuracy of filtered two‐fluid model simulations critically depends on constitutive models for corrections that account for the effects of inhomogeneous structures at the sub‐grid level. The complexity of accounting these structures increases with cohesion. In the present study, a dataset from filtered Euler‐Lagrange simulations with systematic variations of the cohesion level and the filter length was created to investigate the development of a machine learning‐based drag correction model for liquid bridge‐induced cohesive gas‐particle flows. A‐priori tests revealed that these models afford robust and accurate predictions of the drag correction and the actual drag force. Further it was demonstrated that an anisotropic drag correction model is more accurate than an isotropic model.
Reactivity Differences of Trigonal Pyramidal Nonheme Iron(IV)‐Oxo and Iron(III)‐Oxo Complexes: Experiment and Theory
Authors: Cao Yuanxin , Valdez‐Moreira Juan A. , Hay Sam , Smith Jeremy M. , de Visser Sam P.
Published: May 2023

High‐valent metal‐oxo species play critical roles in enzymatic catalysis yet their properties are still poorly understood. In this work we report a combined experimental and computational study into biomimetic iron(IV)‐oxo and iron(III)‐oxo complexes with tight second‐coordination sphere environments that restrict substrate access. The work shows that the second‐coordination sphere slows the hydrogen atom abstraction step from toluene dramatically and the kinetics is zeroth order in substrate. However, the iron(II)‐hydroxo that is formed has a low reduction potential and hence cannot do OH rebound favorably. The tolyl radical in solution then reacts further with alternative reaction partners. By contrast, the iron(IV)‐oxo species reacts predominantly through OH rebound to form alcohol products. Our studies show that the oxidation state of the metal influences reactivities and selectivities with substrate dramatically and that enzymes will likely need an iron(IV) center to catalyze C−H hydroxylation reactions.
[Ni(CO)4]+ as NiI Synthon: Synthesis and Characterization of NiI Half‐Sandwich and Sandwich Cations
Authors: Schmitt Manuel , Mayländer Maximilian , Radtke Valentin , Heizmann Tim , Richert Sabine , Krossing Ingo
Published: May 2023

The stable, easily accessible salt [Ni(CO)4]+[F{Al(ORF)3}2]− (RF=C(CF3)3) was used as a NiI synthon to generate the novel half‐sandwich complexes [Ni(arene)(CO)2]+ (arene=C6H6, o‐dfb=1,2‐F2C6H4). By irreversible removal of CO from the equilibrium, even the rather endergonic reaction to a [Ni(o‐dfb)2]+ salt was successful (ΔrG°(solv)=+78 kJ mol−1). The latter displays an unprecedented slipped η3,η3‐sandwich structure and is the ultimate synthon to NiI‐chemistry.
Exploring latent profiles of disordered eating using an indicator of dietary restriction in an undergraduate sample of men and women
Authors: Trolio Vittoria , Racine Sarah E.
Published: May 2023

Objective

Latent class or latent profile analysis (LPA) studies in patients with eating disorders consistently identify a low‐weight, restrictive eating subgroup that does not endorse weight/shape concerns. To date, similar studies in samples unselected for disordered eating symptoms have not identified a high restriction‐low weight/shape concerns group, which may be due to a lack of inclusion of measures of dietary restriction.

Method

We conducted an LPA using data from 1623 college students (54% female) recruited across three different studies. The Eating Pathology Symptoms Inventory Body Dissatisfaction, Cognitive Restraint, Restricting, and Binge Eating subscales were used as indicators, and body mass index, gender, and dataset were covaried. Purging, excessive exercise, emotion dysregulation, and harmful alcohol use were compared across resulting clusters.

Results

Fit indices supported a 10‐class solution, including five disordered eating groups (largest to smallest): “Elevated General Disordered Eating”, “Body Dissatisfied Binge Eating,” “Most Severe General Disordered Eating,” “Non‐Body Dissatisfied Binge Eating,” and “Non‐Body Dissatisfied Restriction.” The “Non‐Body Dissatisfied Restriction” group scored as low on other measures of traditional eating pathology and harmful alcohol use as non‐disordered eating groups but scored as high on a measure of emotion dysregulation as other disordered eating groups.

Discussion

This study is the first to identify a latent restrictive eating group that does not endorse traditional disordered eating cognitions in an unselected sample of undergraduate students. Results underscore the importance of using measures of disordered eating behaviors without implied motivation to capture overlooked problematic eating patterns in the population that are distinct from our “traditional” understanding of disordered eating.

Public Significance

We identified a group of individuals with high levels of restrictive eating but low body dissatisfaction and intent to diet in an unselected adult sample of men and women. Results underscore the need to investigate restrictive eating outside of the traditional lens of body shape concerns. Findings also suggest that individuals with nontraditional eating difficulties may struggle with emotion dysregulation, putting them at risk of poor psychological and relational outcomes.
Extended producer responsibility: An empirical investigation into municipalities' contributions to and perspectives on e‐waste management
Authors: Leclerc Stéphanie H. , Badami Madhav G.
Published: May 2023

The development and implementation of extended producer responsibility (EPR) policies to manage e‐waste provide multilevel governance frameworks for achieving greater material circularity. However, the roles and responsibilities that are allocated to various stakeholders under these policies, which are crucial for program effectiveness, often vary across jurisdictions, and consensus is lacking about the best types of relationships and collaboration that should govern municipalities' contributions to EPR programs. Against this backdrop, and since this issue is poorly researched, we conducted an empirical investigation to identify the main drivers and barriers influencing municipalities' collaboration with an e‐waste EPR program in a Canadian province where municipalities are free to decide whether or not to engage with the program. Based on our study, we explore policy implications for similar programs in other jurisdictions, and propose questions for further research. Our findings identify key motivations for collaboration, including perceived program legitimacy, program funding, and logistical efficiencies. Conversely, a lack of program transparency, failure to support local employment, a focus on recycling instead of reuse, and limited program scope are identified as disincentives to program participation. Policymaking for e‐waste management and circularity need to consider municipalities' interests and contributions to ensure successful implementation.
Commensality constitutes communalism: Producing emergent bonds in experimental small groups by sharing food and drink
Authors: Brito Rodrigo , Waldzus Sven , Schubert Thomas Wolfgang , Sekerdej Maciej , Louceiro Ana , Simão Cláudia
Published: May 2023

Relational models theory provides an alternative framework to study group and intergroup processes. One of four models people use to constitute groups is communal sharing (CS). Ethnographic and experimental evidence suggests that CS is produced by concrete and symbolic enactments of connections between bodies (cuddling, touching, synchronicity, commensality). We tested the effect of commensality on CS and ingroup favouritism in four Experiments with 3‐person groups (total n = 330) and found that commensality enhances emergent group communal sharing but does not enhance ingroup favouritism. In Experiment 1, sharing food enhanced ingroup communal sharing but in Experiment 2 this effect was not significant. In Experiments 3 and 4, sharing water enhanced communal sharing, but only when served from the same bottle, implying consubstantial assimilation. Ingroup favouritism was not enhanced by commensality in any experiment, even when explicitly presented as exclusively ingroup (Experiment 2), suggesting non‐comparative group formation through ingroup commensality.
Impact of prenatal corticosteroid therapy on sickle cell disease in pregnant women
Authors: Wang Florence , Mandelbrot Laurent , Affo Louis , Galacteros Frédéric , Bounan Stéphane , Fernandez Hervé , Fichez Axel , Cannas Giovanna , Driessen Marine , Debarge Véronique , Loko Gylna , Gnofam Mayi , Makowski Caroline , Graesslin Olivier , Haddad Bassam , Sibiude Jeanne ,   for the Drepagest Study Group
Published: May 2023

Objective

To evaluate safety of prenatal corticosteroids in pregnancies of women with sickle cell disease.

Methods

A multicenter observational study of patients with sickle cell disease, comparing vaso‐occlusive crises (VOC) requiring hospital care between pregnancies with versus without prenatal corticosteroids.

Results

In 40 pregnancies exposed to prenatal corticosteroids, compared with 370 unexposed pregnancies, VOC were not more frequent (62.5% vs 57.9%, P = 0.578) but they were more severe, with more intensive care hospitalizations (25.0% vs 12.9%, P = 0.039), emergency transfusions (44.7% vs 22.7%, P = 0.006), and acute chest syndromes (22.5% vs 8.9%, P = 0.010). These differences persisted after adjustment for severity and type of sickle cell syndrome (for intensive care admission adjusted odds ratio [aOR] 2.73, 95% confidence interval [CI] 1.10–6.79, P = 0.031 and for acute chest syndrome aOR 4.15, 95% CI 1.57–14.4, P = 0.008). VOC occurred on average 1.2 days following steroid administration. When comparing 36 patients receiving corticosteroids for fetal maturation with 58 patients who were hospitalized for obstetrical complications before 34 weeks of pregnancy but that did not receive corticosteroids, VOC incidence was not significantly higher (41.7% vs 31.5%, P = 0.323).

Conclusion

The present study was the first to study the impact of prenatal corticosteroids on sickle cell disease. They were associated with more severe VOC, suggesting that steroids should be avoided in these women.
Recyclable functionalized polyethyleneimine‐coated magnetic nanoparticles for efficient removal of lead from aqueous solutions
Authors: Tsague Chimaine F , Abbo Hanna S , Yufanyi Divine M , Ondoh Agwara M , Titinchi Salam JJ
Published: May 2023

Background

Lead is among the most lethal heavy metals, displaying toxicity towards humans, animals and plants. Removal of lead ions from wastewater prior to its disposal is very important. Consequently, the development of adsorbents which can effectively remove Pb(II) from water is a subject of growing research interest.

Results

Polyethyleneimine‐coated magnetic nanoparticles functionalized with various compounds, namely salicylaldehyde, carbon disulfide and o‐vanillin, were synthesized and employed in the removal of Pb(II) from aqueous solutions. These compounds act as chelating agents which bind to toxic metal ions to form complex structures which are easily removed from the solutions. A very effective uptake of Pb(II) (98.1% of 25 mg L−1 Pb(II)) was achieved with an adsorbent dose of 10 mg, a contact time of 60 min and at a pH of 6.5. Equilibrium data for isothermal, kinetic and thermodynamic studies indicate that the process of adsorption fitted well with the Langmuir adsorption isotherm model. The kinetics of adsorption proceeded through a pseudo‐second‐order rate while the thermodynamic parameters indicated that the process was spontaneous and endothermic.

Conclusion

Functionalization of iron oxide nanoparticles was confirmed by various techniques. Adsorption factors were optimized in order to achieve maximum removal of Pb(II). The modified magnetic materials are highly effective active sorbent materials. The hydroxyl, thiol and thiocarbamate groups have a synergistic effect on Pb2+ removal through electrostatic interactions and chelation. Adsorption studies demonstrate that a high adsorption capacity (92%) was achieved within 10 min at 25 °C using the adsorbent MNP@PEI‐CS2. The nanoadsorbents can be reused without affecting their removal capacity. © 2023 Society of Chemical Industry (SCI).
Manual dexterity in dentistry: Development and evaluation of a preclinical training program
Authors: Neves Tamíris da Costa , Pazos Júlia Margato , Genaro Luis Eduardo , Hallak Julia Carrer , Garcia Patrícia P. N. S.
Published: May 2023

Objectives

The aim of this study was to develop and evaluate the effect of a manual dexterity training program on manual dexterity, perception of self‐confidence, quality of cavity preparations, and ergonomic work posture of dental students prior to preclinical training.

Methods

Students in the first year of the undergraduate dentistry program (N = 63) participated in this study. The program consisted of eight phases in which students performed different types of activities. The dependent variables were: manual dexterity assessed by the modified Dental Manual Dexterity Assessment; self‐confidence to perform a preclinical procedure using the VAS scale; quality of Class I cavity preparation; angular deviation from the neutral position of the neck, trunk, wrist and distance between the student's eyes and the mannequin's tooth. These variables were evaluated at two different times: before and after the application of the program. The independent variable was the preclinical manual dexterity training program. After meeting the assumption of normality, the paired t‐Student test was performed, the significance level was 5%.

Results

The results showed a statistically significant difference in relation to manual dexterity (p < 0.001), self‐confidence (p < 0.001), quality of cavity preparations (p < 0.001), distance from the eyes of the student/mannequin (p < 0.001), deviation angle of the neutral position of the trunk (p = 0.007) and wrists (p < 0.001), with better results in posttraining.

Conclusion

It was possible to conclude that, in general, the proposed training positively influenced the self‐confidence, dexterity, quality of work, and ergonomics of the evaluated students.
Improved bound on vertex degree version of Erdős matching conjecture
Authors: Guo Mingyang , Lu Hongliang , Jiang Yaolin
Published: May 2023

For a ‐uniform hypergraph , let denote the minimum vertex degree of , and denote the size of the largest matching in . In this paper, we show that for any and , there exists an integer such that for positive integers and , if is an ‐vertex ‐graph with , then . This improves upon earlier results of Bollobás, Daykin, and Erdős for the range and Huang and Zhao for the range .
Haploidentical hematopoietic cell transplant recipient presents with late‐onset Epstein Barr virus‐associated posttransplant lymphoproliferative disorder
Authors: Braun Adam , Liu Lawrence , Al Malki Monzr M. , Becker Pamela S
Published: May 2023

Posttransplant lymphoproliferative disease (PTLD) is a potentially life‐threatening complication of hematopoietic cell transplantation. With improvements in Epstein‐Barr virus (EBV) monitoring and supportive care, PTLD incidence has decreased throughout the history of bone marrow transplantation. It is rare to develop PTLD after the first year following transplant, across all donor categories. In this case, we hope to elucidate details that may have predisposed to this unusual presentation. We present the case of a 55‐year‐old gentleman with acute myeloid leukemia who underwent a haploidentical transplant for consolidation and presented with fatigue, lethargy and presumed septic shock nearly 7 years after transplant.
Domains of professional fulfillment for pediatric hospital medicine: A concept mapping study
Authors: Webber Sarah , Kloster Heidi , Shadman Kristin A. , Kelly Michelle , Sklansky Daniel , Coller Ryan J.
Published: May 2023

Background

We know little about how pediatric hospital medicine (PHM) physicians conceptualize their professional fulfillment (PF). The objective of this study was to determine how PHM physicians conceptualize PF.

Objective

The objective of this study was to determine how PHM physicians conceptualize PF.

Methods

We performed a single‐site group concept mapping (GCM) study to create a stakeholder‐informed model of PHM PF. We followed established GCM steps. For brainstorming, PHM physicians responded to a prompt to generate ideas describing the concept of PHM PF. Next, PHM physicians sorted the ideas based on conceptual relatedness and ranked them on importance. Responses were analyzed to create point cluster maps where each idea represented one point, and point proximity illustrated how often ideas were sorted together. Using an iterative and consensus‐driven approach, we selected a cluster map best representing the ideas. Mean rating scores for all the items in each cluster were calculated.

Results

Sixteen PHM physicians identified 90 unique ideas related to PHM PF. The final cluster map described nine domains for PHM PF: (1) work personal‐fit, (2) people‐centered climate, (3) divisional cohesion and collaboration, (4) supportive and growth‐oriented environment, (5) feeling valued and respected, (6) confidence, contribution, and credibility, (7) meaningful teaching and mentoring, (8) meaningful clinical work, and (9) structures to facilitate effective patient care. The domains with the highest and lowest importance ratings were divisional cohesion and collaboration and meaningful teaching and mentoring.

Conclusion

Domains of PF for PHM physicians extend beyond existing PF models, particularly the importance of teaching and mentoring.
Characterization of Mn3O4‐MnO2 nanocomposites biosynthesized by cell lysate of Haloferax alexandrinus GUSF‐1
Authors: Alvares Jyothi J. , Gaonkar Sanket K. , Naik Chandan C. , Asogekar Pratik , Furtado Irene J.
Published: May 2023

Manganese oxide nanocomposites attract huge attention in various biotechnological fields due to their extensive catalytic properties. This study reports an easy, rapid, and cost‐effective method of using the cell lysate of haloarchaeon, Haloferax alexandrinus GUSF‐1 for the synthesis of manganese oxide nanoparticles. The reaction between the cell lysate and manganese sulfate resulted in the formation of a dark brown precipitate within 48 h at room temperature. The X‐ray diffraction pattern showed the existence of Mn3O4 and MnO2 phases consistent with the JCPDS card no. (01‐075‐1560 and 00‐050‐0866). The dark brown colloidal suspension of MnO3‐MnO2 in methanol showed maximum absorption between 220 and 260 nm. The EDX spectrum confirmed the presence of manganese and oxygen. The Transmission electron microscopy revealed the spherical morphology with an average particle size between 30 and 60 nm. The magnetic moment versus magnetic field (MH) curve, at room temperature (300 K) did not saturate even at a high magnetic field (±3T) indicating the paramagnetic nature of the prepared nanocomposite. The Atomic Emission Spectroscopic analysis showed a negligible amount of soluble manganese (0.03 ppm in 50 ppm) in the Mn3O4‐MnO2 suspension suggesting the maximum stability of the material in the solvent over time. Interstingly, Mn3O4‐MnO2 nanocomposites evidenced antimicrobial activity in the order of Pseudomonas aeruginosa > Salmonella typhi > Escherichia coli > Proteus vulgaris > Candida albicans > Staphylococcus aureus. Conclusively, this is the first report on the formation of Mn3O4‐MnO2 nanocomposites using cell lysate of salt pan haloarcheon Haloferax alexandrinus GUSF‐1 with antimicrobial potential.