bluuebunny/crossref_metadata_2025 huggingface dataset:
State COVID-19 Vaccine Mandates and Uptake Among Health Care Workers in the US
Authors: Wang Yin , Stoecker Charles , Callison Kevin , Hernandez Julie H.
Published: August 2024

Importance

Seventeen states introduced COVID-19 vaccine mandates for health care workers (HCWs) in mid-2021. Prior research on the effect of these mandates was centered on the nursing home sector, and more evidence is needed for their effect on the entire HCW population.

Objective

To examine the association between state COVID-19 vaccine mandates for HCWs and vaccine uptake in this population.

Design, Setting, and Participants

This repeated cross-sectional study included biweekly, individual-level data for adults aged 25 to 64 years who were working or volunteering in health care settings obtained from the Household Pulse Survey between May 26 and October 11, 2021. Analyses were conducted between November 2022 and October 2023.

Exposure

Announcement of a state COVID-19 vaccine mandate for HCWs.

Main Outcomes and Measures

An indicator for whether a sampled HCW ever received a COVID-19 vaccine and an indicator for whether an HCW completed or intended to complete the primary COVID-19 vaccination series. Event study analyses using staggered difference-in-differences methods compared vaccine uptake among HCWs in mandate and nonmandate states before and after each mandate announcement. The sample was further stratified by the availability of regular COVID-19 testing in place of a vaccination (ie, a test-out option) and by the ages of HCWs (25-49 or 50-64 years) to examine heterogeneous associations.

Results

The study sample included 31 142 HCWs (mean [SD] age, 45.5 [10.6] years; 72.1% female) from 45 states, 16 of which introduced COVID-19 vaccine mandates for HCWs. Results indicated a mandate-associated 3.46–percentage point (pp) (95% CI, 0.29-6.63 pp; P = .03) increase in the proportion of HCWs ever vaccinated against COVID-19 and a 3.64-pp (95% CI, 0.72-6.57 pp; P = .02) increase in the proportion that completed or intended to complete the primary vaccination series 2 weeks after mandate announcement from baseline proportions of 87.98% and 86.12%, respectively. In the stratified analyses, positive associations were only detected in mandate states with no test-out option and among HCWs aged 25 to 49 years, which suggested vaccination increases of 3.32% to 7.09% compared with baseline proportions.

Conclusions and Relevance

This repeated cross-sectional study found that state COVID-19 vaccine mandates for HCWs were associated with increased vaccine uptake among HCWs, especially among younger HCWs and those in states with no test-out option. These findings suggest the potential for vaccine mandates to further promote vaccinations in an already highly vaccinated HCW population, especially when no test-out option is in place.
Cytotoxicity by endocrine disruptors through effects on ER Ca2+ transporters, aberrations in Ca2+ signalling pathways and ER stress
Authors: Michelangeli Francesco , Mohammed Noor A. , Jones Brogan , Tairu Monsurat , Al‐Mousa Fawaz
Published: August 2024

Concerns regarding man‐made organic chemicals pervading our ecosystem and having adverse and detrimental effects upon organisms, including man, have now been studied for several decades. Since the 1970s, some environmental pollutants were identified as having endocrine disrupting affects. These endocrine disrupting chemicals (EDC) were initially shown to have estrogenic or anti‐estrogenic properties and some were also shown to bind to a variety of hormone receptors. However, since the 1990s it has also been identified that many of these EDC additionally, have the ability of causing abnormal alterations in Ca2+ signalling pathways (also commonly involved in hormone signalling), leading to exaggerated elevations in cytosolic [Ca2+] levels, that is known to cause activation of a number of cell death pathways. The major emphasis of this review is to present a personal perspective of the evidence for some types of EDC, specifically alkylphenols and brominated flame retardants (BFRs), causing direct effects on Ca2+ transporters (mainly the SERCA Ca2+ ATPases), culminating in acute cytotoxicity and cell death. Evidence is also presented to indicate that this Ca2+ATPase inhibition, which leads to abnormally elevated cytosolic [Ca2+], as well as a decreased luminal ER [Ca2+], which triggers the ER stress response, are both involved in acute cytotoxicity.
Optical Activity and Phase Transformations in γ/β Ga2O3 Bilayers Under Annealing
Authors: Azarov Alexander , Galeckas Augustinas , Cora Ildikó , Fogarassy Zsolt , Venkatachalapathy Vishnukanthan , Monakhov Eduard , Kuznetsov Andrej
Published: August 2024

Gallium oxide (Ga2O3) can be crystallized in several polymorphs exhibiting different physical properties. In this work, polymorphic structures consisting of the cubic defective spinel (γ) film on the top of the monoclinic (β) substrate are fabricated by disorder‐induced ordering, known to be a practical way to stack these polymorphs together. Such bilayer structures are annealed to investigate optical properties and phase transformations. Specifically, photoluminescence and diffuse reflectance spectroscopy are combined with transmission electron microscopy, Rutherford backscattering/channeling spectrometry and X‐ray diffraction to monitor the evolutions. As a result, a two‐stage annealing kinetics is observed in γ/β Ga2O3 bilayers associated with the epitaxial γ‐to‐β regrowth at the interface at temperatures below 700 °C and a non‐planar γ‐to‐β phase transformation starting at higher temperatures. Thus, the present data enhance understanding of the polymorphism in Ga2O3, interconnecting the phase transformation kinetics with the evolution of the optical properties.
Diastereoselective Synthesis of Dearomatic 2‐Oxa‐7‐Azaspiro[4.5]Decane Derivatives through Gold and Palladium Relay Catalytic Tandem Cyclization of Enynamides with Vinyl Benzoxazinanones
Authors: Xu Jiaming , Gao Yanfeng , Gao Xin , Miao Zhiwei
Published: August 2024

We present a diastereoselective Au/Pd relay catalytic tandem cyclization reaction to produce dearomatic 2‐oxa‐7‐azaspiro[4.5]decane derivatives under mild conditions. This process involves generating furan‐derived azadiene from readily available enynamide, followed by a [2+4] cycloaddition with Pd‐π‐allyl dipole decarboxylated from vinyl benzoxazinanone. Our method efficiently constructs the spiro[4.5]decane skeleton, achieving yields ranging from 31–97% and diastereoselectivities from 6:1 dr to >20:1 dr across 34 examples. This research introduces new cycloaddition sites for azadienes as 1,2‐dipoles and offers a reliable approach for constructing oxa‐azaspiro[4.5]decane frameworks.
Composites of 2D Materials and Bacterial Cellulose for Sustainable Energy Storage and Environmental Remediation
Authors: Gusain Rashi , Kumar Neeraj , Seyedin Shayan , Jiang Yunhong
Published: August 2024

The ever‐increasing demand for sustainable energy sources and environment protection is the focus of significant scientific scrutiny worldwide. Advanced composite materials have been developed to help meet the energy demand and environmental sustainability. Researchers are drawn to the study of two‐dimensional (2D) materials/bacterial cellulose (BC) composites for energy and environmental applications due to the intriguing electrical, mechanical, electrochemical, and catalytic properties of 2D materials combined with the sustainability and biocompatibility of BC. In this review, the key strategies are explained to develop 2D materials/BC composites and highlight unique properties of such fascinating systems. The recent progress on the application of advanced 2D materials/BC composites in energy storage (supercapacitors and batteries) and environmental remediation (water treatment, antimicrobial activity, and environmental gas sensing) are explained in detail highlighting future outlooks and challenges in the field. This review is intended to serve as a valuable resource for researchers currently engaged in the study of 2D materials and/or BC for different applications and is expected to shape the upcoming research and industrial applications of emerging 2D materials/BC composites.
Optical Properties of Three‐Electron GaAs/AlxGa1−xAs QDs with Finite Confinement Potential
Authors: Yakar Yusuf , Çakır Bekir , Özmen Ayhan
Published: August 2024

In the case of finite confinement potential, the average energies and corresponding wave functions for the 1s2nl configurations, in which nl = 2s, 2p, 3d, and 4f, of three‐electron GaAs/AlxGa1−xAs quantum dot with and without impurity are computed by using a new variational approach which is a combination of Quantum Genetic Algorithm procedure and Hartree–Fock–Roothaan method. Using the calculated average energies and wave functions, a detailed investigation of the linear, third‐order nonlinear and total absorption coefficients (ACs) and the refractive index changes (RICs) for the quantum dot is performed, and the obtained results are presented as a function of dot radius and photon energies. The results show that the dot radius, the impurity charge, and the height of potential barrier have a strong influence on the average energies and absorption spectra of the system. As the potential barrier height increases, the peak positions of the ACs and RICs shift toward higher energy, and there is a significant increase in the amplitudes of the absorption spectra as the potential barrier height increases. In addition, the electron wave functions begin to enter the quantum well at smaller dot radii with increasing barrier height.
Humidity‐adaptive, mechanically robust, and recyclable bioplastic films amplified by nanoconfined assembly
Authors: Wang Siheng , Zhang Lei , Wang Zhuomin , Song Zhanqian , Liu He , Tian Ziqi , Xu Xu
Published: August 2024

Poly(vinyl alcohol) (PVA) is biodegradable, recyclable, and has high tensile strength. Therefore, it is ideal for the development of environment‐friendly sustainable bioplastics. However, at elevated humidity, the mechanical properties of PVA bioplastic films undergo degradation owing to their intrinsic hydrophilic and hygroscopic nature, hindering their applications. This study proposes a nanoconfined assembly strategy to produce humidity‐adaptive, mechanically robust, and recyclable bioplastic film. The strong hydrogen bonds between PVA and cellulose nanofibrils inhibit the penetration of water molecules into the film to promote humidity resistance. Further, the robust coordination interactions between bentonite nanoplates, PVA, and cellulose nanofibrils restrict the slip of polymer chains during deformation, leading to enhanced mechanical properties. Benefiting from the nanoconfined assembly architecture in aggregated composites, the resulting reinforced PVA film simultaneously exhibits strength, stiffness, toughness, fracture energy, and tearing energy of 55.9 MPa, 1,275.6 MPa, 162.9 MJ m−3, 630.9 kJ m−2, and 465.0 kJ m−2, respectively. Moreover, the film maintains a strength of approximately 48.7 MPa even at 80% relative humidity for 180 days. This efficient design strategy applies to diverse scales and structured cellulose biomacromolecules. Moreover, it facilitates the application of recyclable high‐performance bioplastic films to settings that require high humidity tolerance.
Efficient extraction of hydrogen fluoride using hollow fiber membrane contactors with the aid of active‐learning
Authors: Park Jimin , Cheon Mujin , Kim David Inhyuk , Park Daeseon , Lee Jay H. , Koh Dong‐Yeun
Published: August 2024

This study presents a sustainable approach to extracting hydrogen fluoride (HF) from wastewater using hollow fiber membrane contactors. HF, a widely used yet hazardous chemical, requires efficient separation techniques due to its environmental and health concerns. Our research compared two operational modes, vacuum mode and liquid–liquid extraction mode, revealing the latter as more efficient for HF separation. Notably, this study introduces a novel aspect by employing a data‐driven decision‐making method, Bayesian optimization (BO) for process optimization of the liquid–liquid extraction mode, aiming to maximize HF removal efficiency at low experimental costs. Subsequent validation through a 96‐h experimental run confirms the suitability of the optimized conditions for industrial applications. This study not only demonstrates an efficient HF separation process using hollow fiber membrane contactors but also establishes a new standard for complex industrial process optimization.
Increasing research study engagement in minoritized populations: An example from the Black Women Inflammation and Tau Study
Authors: Stradford Joy , Heyworth Nadine C. , Jackson Michelle , Norman Marc , Banks Sarah J. , Sundermann Erin E. , Thames April D.
Published: August 2024

Black women are sorely underrepresented in studies of Alzheimer's disease and related dementias (ADRD) despite higher rates of ADRD diagnoses than in non‐Hispanic White women. There are many reasons for underrepresentation, including medical mistrust, limited access to clinical studies, and restrictive study inclusion criteria. These pervasive barriers to research participation are often not considered during study development and, if eventually thought of tend to be after the fact. Community‐engaged research (CER) approaches are an effective method for reducing participation barriers. This article describes how CER approaches were used to develop the Black Women Inflammation and Tau Study (BWITS), a prospective study to identify biopsychosocial risk factors for ADRD in Black women. Guidelines discussed here for future ADRD research in diverse populations are informed by Community‐Based Participatory Research (CBPR), the National Institute on Minority Health and Health Disparities (NIMHD), and the Patient‐Centered Outcomes Research Institute (PCORI).

Highlights

Understand the historical tragedies related to medical practices and research designs that may contribute to the underrepresentation of Black Americans in research studies today.

Highlight community‐engaged research approaches that effectively reduce participation barriers in minoritized groups.

Review Community‐Based Participatory Research, National Institute of Minority Health and Health Disparities, and the Patient‐Centered Outcomes Research Institute guidelines for conducting research with minoritized communities.

Describe using the three frameworks to inform the study development protocol for the Black Women Inflammation and Tau Study.

Conclude by offering study design considerations that we hope can be a helpful starting point for others conducting research with minoritized communities.
Photocleavable Protecting Groups Using a Sulfite Self‐Immolative Linker for High Uncaging Quantum Yield and Aqueous Solubility
Authors: Schulte Albert Marten , Vivien Quentin , Leene Julia H. , Alachouzos Georgios , Feringa Ben L. , Szymanski Wiktor
Published: August 2024

Using light as an external stimulus to control (bio)chemical processes offers many distinct advantages. Most importantly, it allows for spatiotemporal control simply through operating the light source. Photocleavable protecting groups (PPGs) are a cornerstone class of compounds that are used to achieve photocontrol over (bio)chemical processes. PPGs are able to release a payload of interest upon light irradiation. The successful application of PPGs hinges on their efficiency of payload release, captured in the uncaging Quantum Yield (QY). Heterolytic PPGs efficiently release low pKa payloads, but their efficiency drops significantly for payloads with higher pKa values, such as alcohols. For this reason, alcohols are usually attached to PPGs via a carbonate linker. The self‐immolative nature of the carbonate linker results in concurrent release of CO2 with the alcohol payload upon irradiation. We introduce herein novel PPGs containing sulfites as self‐immolative linkers for photocaged alcohol payloads, for which we discovered that the release of the alcohol proceeds with higher uncaging QY than an identical payload released from a carbonate‐linked PPG. Furthermore, we demonstrate that uncaging of the sulfite‐linked PPGs results in the release of SO2 and show that the sulfite linker improves water solubility as compared to the carbonate‐based systems.
The Promise of Carbon Nano‐Onions: Preparation, Characterization and Their Application in Electrochemical Sensing
Authors: Almeida Gonzalez Hector Daniel , Hernandez Ojeda Janser , Corcho‐Valdés Angel Luis , Padron‐Ramirez Ivan , Perez Cruz Marina , Iriarte‐Mesa Claudia , Desdin‐Garcia Luis Felipe , Gobbo Pierangelo , Antuch Manuel
Published: August 2024

Carbon nano‐onions (CNOs) promise to improve the range of applications of carbon materials for electroanalytical applications. In this review, we explore the synthesis, characterization, and electrochemical applications of CNOs. CNO‐based sensors present impressive features, including low detection limits in the femtogram per milliliter range, a broad linear detection range spanning up to 7 orders of magnitude, exceptional selectivity, reproducibility, and stability. Synthetic methods and characterization techniques for CNOs were thoroughly examined, shedding light on their pivotal role in biosensing technologies. Comparative analyses with other carbon materials underscore CNOs′ competitive performance, either surpassing or matching many counterparts. Despite their relatively recent integration in biosensing applications, CNOs exhibit comparable or superior results concerning other carbon‐based materials. Indeed, the incorporation of CNOs into hybrid nanocomposites has shown promising outcomes, indicating a synergistic potential for future advancements in biosensing technologies. Our review provides a broad approach to the application of CNOs to the field, with emphasis on breakthroughs of the last 5 years.
Effect of Bipyridines on Catalytic Oxygen Reduction by Oxamidato‐Bridged Dicopper(II) Complexes
Authors: Liu Hao‐Cheng , Li Shuai‐Kang , Liu Zi‐Heng , Liu Chang , Yang Xing‐Jin , Luo Zi‐Li , Li Ran‐Ran , Wang Tian‐Shun , Zhang Hua‐Xin
Published: August 2024

The oxygen reduction reaction (ORR) has a crucial impact on the energy conversion efficiency and the performance of fuel cells, it is urgent to deliver low‐cost efficient ORR catalysts for the aim to scale up the utilization of fuel cells. In this study, three oxamidate copper(II) complexes [Cu2(trans‐L)(H2O)2(ClO4)2]·2H2O (Cuox), [Cu2(cis‐L)(bpy)(ClO4)2]·CH3OH (Cuoxbpy), and [Cu2(cis‐L)(mebpy)(ClO4)](ClO4) (Cuoxmebpy) (L = N,N–bis(2–pyridylmethyl)oxamide, bpy = 2,2′–bipyridine, and mebpy = 4,4′–dimethyl–2,2′–bipyridine) were prepared and characterized. The configuration of L varied from the trans form to the cis form as the bipyridines were introduced to the dicopper complex. The redox properties of three oxamidate copper(II) complexes and their catalytic activities for the ORR were studied in neutral aqueous solutions. The ORR onset potentials by Cuox, Cuoxbpy, and Cuoxmebpy were 0.417, 0.502, and 0.481 versus RHE, respectively. Three complexes homogeneously catalyzed the ORR to predominantly generate H2O2. A bimolecular catalytic pathway was proposed for the ORR mediated by Cuox, whereas a single‐molecular pathway was by Cuoxbpy and Cuoxmebpy. This work demonstrated that oxamidate metal complexes are promising ORR catalyst candidates provided that their electronic structures are appropriately tuned by altering the substituent on the organic ligands.
Sustainable Hard Carbon as Anode Materials for Na‐Ion Batteries: From Laboratory to Upscaling
Authors: Guo Zhenyu , Zheng Kaitian , Wang Mengnan , Huang Yichen , Zhao Yuanzhu , Au Heather , Titirici Maria‐Magdalena
Published: August 2024

Sodium‐ion batteries (NIBs) are an alternative to lithium‐ion batteries (LIBs), particularly in applications where cost, availability, and sustainability are more critical. Hard carbon is emerging as a promising anode material for NIBs, however, the scale up remains in developmental stages. In this study, we focus on the development and potential upscaling of sustainable hard carbon materials as anodes for NIBs. The synthesis of hard carbon starts from D‐glucose, a scalable and environmentally benign precursor. A facile process combining hydrothermal carbonisation and subsequent pyrolysis at 1500 °C allows the hard carbon to become an industrially viable material. The resulting hard carbon demonstrates competitive performance metrics including a high initial Coulombic efficiency, high reversible capacity, long‐term cycling stability, and rate capability. This study concludes with a discussion of the techno‐economic analysis of adopting such sustainable materials in the battery industry, highlighting the potential for significant advancements in energy storage technologies.
Sequential delivery of photosensitizers and checkpoint inhibitors by engineered bacteria for enhanced cancer photodynamic immunotherapy
Authors: Liu Xinyu , Fan Yali , Zhang Xinyu , Li Lianyue , Yang Chao , Ma Xiaoyan , Bai Guijie , Sun Dawei , Wang Yaxin , Wang Junyi , Li Yong , Shi Yanyan , Liu Jing , Zhang Yingying , Wang Hanjie
Published: August 2024

Engineered bacteria‐based cancer therapy has increasingly been considered to be a promising therapeutic strategy due to the development of synthetic biology. Wherein, engineering bacteria‐mediated photodynamic therapy (PDT)‐immunotherapy shows greater advantages and potential in treatment efficiency than monotherapy. However, the unsustainable regeneration of photosensitizers (PSs) and weak immune responses limit the therapeutic efficiency. Herein, we developed an engineered bacteria‐based delivery system for sequential delivery of PSs and checkpoint inhibitors in cancer PDT‐immunotherapy. The biosynthetic pathway of 5‐aminolevulinic acid (5‐ALA) was introduced into Escherichia coli, yielding a supernatant concentration of 172.19 mg/L after 10 h of growth. And another strain was endowed with the light‐controllable releasement of anti‐programmed cell death‐ligand 1 nanobodies (anti‐PD‐L1). This system exhibited a collaborative effect, where PDT initiated tumor cell death and the released tumor cell fragments stimulated immunity, followed by the elimination of residual tumor cells. The tumor inhibition rate reached 74.97%, and the portion of activated T cells and inflammatory cytokines were reinforced. The results demonstrated that the engineered bacteria‐based collaborative system could sequentially deliver therapeutic substance and checkpoint inhibitors, and achieve good therapeutic therapy. This paper will provide a new perspective for the cancer PDT‐immunotherapy.
Based on UHPLC–Q‐TOF–MS and bioinformatics strategies, the potential allergens and mechanisms of allergic reactions caused by Danshen injection were explored
Authors: Lei Wu , Zhiqi He , You Peng , Peiling Tian , Yanze Guo , Qiru Li , Mingjie Tian , Tao Liu
Published: August 2024

The aim is to investigate the potential allergens and mechanisms underlying allergic‐like reactions induced by Danshen injection (DSI). Utilizing ultra‐performance liquid chromatography quadrupole time‐of‐flight mass spectrometry (UHPLC–Q‐TOF–MS), metabolomics, and bioinformatics, we identified the key allergens, targets, and metabolic pathways involved in DSI‐induced allergic‐like reactions, validating binding efficiency through molecular docking and molecular dynamics. A total of 45 compounds were identified within DSI, with 24 compounds exhibiting strong binding activity to the MrgprX2 activation site. DSI was found to cause changes in 89 endogenous metabolites, including arachidonic acid, prostaglandins, and leukotrienes, primarily affecting pathways such as phenylalanine metabolism and arachidonic acid metabolism. The key allergens identified were Cryptotanshinone, Miltipolone, Neocryptotanshinone, Salvianolic acid B, and Isosalvianolic acid C, which primarily trigger allergic‐like reactions by regulating upstream signaling targets such as ALOX5, PTGS1, PPARD, and LTB4R. Validation confirmed the high binding affinity and stability between key allergens and targets. These findings indicate that the allergic components in DSI primarily induce allergic‐like reactions by modulating the aforementioned signaling targets, activating the AA metabolic pathway, promoting mast cell degranulation, and releasing downstream endogenous inflammatory mediators, subsequently eliciting allergic‐like reactions.
Innervation of the human sternoclavicular joint
Authors: Emura Kenji , Nitta Ryo , Arakawa Takamitsu
Published: August 2024

The sternoclavicular joint (SCJ) functions as the basal joint of the entire upper limb and must move in the proper pattern for normal scapular motion. Afferent sensations from joints, such as proprioception and pain sensation, are important for maintaining the proper motion and condition of joints. Detailed anatomical data are useful for discussing injuries or surgeries that impair the afferent nerve to the SCJ. Nerve branches to SCJs were examined on 12 sides, and the subclavian nerve was investigated on six sides to clarify whether it innervates this joint. On seven of the 12 sides, the SCJ was innervated by two nerves, (1) a branch from the medial supraclavicular nerve that ran medially along the clavicle and (2) a branch from the lateral pectoral nerve that innervated the clavicular head and upper part of the sternocostal head of the pectoralis major. This branch ran medially behind the clavicular head of the pectoralis major and reached the SCJ. In the remaining five sides, the SCJ was innervated solely by the branch from the medial supraclavicular nerve. Subclavian nerves ended within the subclavius muscle or periosteum of the clavicle and were separate from the SCJs. Our data on the route of nerve branches to the SCJ suggest that injury or surgery, such as clavicle fracture or resection of the clavicular head of the pectoralis major for myocutaneous flap transfer, can impair the SCJ's afferent nerve supply.
Structurally Diverse Secondary Metabolites from a Deep‐Sea Derived Cladosporium sp. SCSIO 41318and Their Biological Evaluation
Authors: Zhang Wanying , Yuan Yuan , Pang Xiaoyan , Liu Yonghong , Zhang Xiaoyong , Liu Qingchao , Wang Junfeng
Published: August 2024

Four new compounds, including one drimane sesquiterpene lactone (1), one isocoumarin (2), one coumarin (3), and a new natural product (4), as well as fourteen known compounds were obtained from a deep‐sea derived Cladosporium sp. SCSIO 41318. The structures of the new compounds were determined using extensive NMR and HRESIMS spectroscopic analysis, electronic circular dichroism calculations, and single‐crystal X‐ray diffraction measurements. Biological assays showed that compounds (1, 6, 7, 9–12, 14, 15, 17, 18) exhibited varying degrees of antimicrobial activity against the tested human pathogenic bacteria and plant pathogenic fungi. Besides, penicitrinone A (11) and penicitrinol A (12) displayed weak antitumor activities against the 22Rv1 cell line.
Non‐Kekulé meta‐Quinodimethane Singlet Diradicals Based on Classical N‐Heterocyclic Carbenes
Authors: Steffenfauseweh Henric , Rottschäfer Dennis , Vishnevskiy Yury V. , Neumann Beate , Stammler Hans‐Georg , de Bruin Bas , Ghadwal Rajendra S.
Published: August 2024

Diradicals based on a meta‐quinodimethane (m‐QDM) scaffold generally have a triplet ground state and are rather scarce. Herein, m‐QDM‐based non‐Kekulé diradicals [3,3′‐(NHC)2BP] (3‐NHC) (NHC = SIPr = C{N(Dipp)CH2}2; IPr = C{N(Dipp)CH}2, Me‐IPr = C{N(Dipp)CMe}2; Dipp = 2,6‐iPr2C6H3; BP = 1,1′‐C6H4C6H4) featuring N‐heterocyclic carbene (NHC) pendants are reported as crystalline solids. The EPR spectra of 3‐NHC show both allowed (Δms = 1) and forbidden (Δms = 2; ‘half‐field’) transitions characteristic for triplet diradicals. Variable temperature EPR studies however reveal a singlet ground state for 3‐SIPr. Consistent with the EPR spectra, calculations predict a remarkably small singlet‐triplet energy gap (ΔEST ≤ 0.26 kcal/mol) for the 3‐NHC compounds. The calculated singlet diradical character for the ground states of the 3‐NHC compounds amounts to ~99 %.
Coalescence investigations in a small‐scale continuously operated setup for bubble column design
Authors: Hlawitschka Mark Werner , Schleiffer Andreas , Schurr Jonas , Winkler Stephan , Danner Daniel
Published: August 2024

A novel micro‐channel technique for analyzing the coalescence of bubbles and obtaining relevant information for the creation of a coalescence database is presented. The micro‐channel improves the coalescence investigations by a continuously operated setup, reduces the accumulation of impurities and increases the amount of recorded data. To introduce the new setup, studies with alcoholic, electrolytic aqueous systems and liquid silicone oil as a second liquid are presented, showing the influence of different concentrations. Artificial intelligence has been successfully developed to automate data generation. This approach improves the understanding of bubble coalescence by introducing a reproducible setup. Furthermore, it facilitates the transition to a predictive column design through data‐based decisions and modelling.
Haptic 3D models as learning objects ‐ The inclusive 3D process model in use
Authors: Lindenstruth Philipp , Schween Michael
Published: August 2024

Das 3D‐Prozessmodell ist ein speziell an den Bedarfen blinder und sehbeeinträchtigter Lernender entwickeltes Modell, das den Zugang dieser Gruppe zu SN‐Reaktionsprozessen unterstützen soll. Für die Interpretation des Reaktionsprozesses relevante Informationen zu strukturellen und energetischen Aspekten werden im Modell haptisch erfahrbar und damit explizit dargestellt. Um das Modell erfolgreich zu nutzen, ist es grundlegend, dass Lernende die haptisch erfahrbaren Informationen als relevant erkennen, sie für die Diskussion nutzen und fachlich interpretieren. Das Ziel der hier vorgestellten Untersuchung besteht darin, herauszufinden, inwiefern Lernende die im Modell erfahrbaren haptischen Informationen wahrnehmen und wie sie diese für die Beschreibung des Reaktionsprozesses einsetzen. Um dies zu untersuchen und damit auch eine erste Evaluation des entwickelten 3D‐Prozessmodells zu erhalten, wurde eine qualitative Interviewstudie an einem hessischen Gymnasium mit dem Förderschwerpunkt Sehen durchgeführt (N=10) und mit Blick auf die Verwendung der am Modell erarbeiteten haptischen Informationen ausgewertet. Es konnte gezeigt werden, dass die Studienteilnehmenden die haptisch erfahrbaren Informationen des Modells zur Interpretation und Diskussion eines modellierten Reaktionsprozesses nutzen konnten. Die Konstruktion des Modells zeigt Möglichkeiten auf, um haptisch erfahrbare Informationen in weitere gegenständliche Modelle einzubauen.
Morphological Characteristics of Retinal Ganglion Cells in the Retinas of Giant Pandas (Ailuropoda melanoleuca)
Authors: Wang Wenyao , Wang Chengdong , Nan Yan , Zhou Yuan , Wei Ronping , Ling Shanshan , Wu Honglin , Deng Linhua , Gao Jie , He Qihua , Huang Xin , Zhang Chun , Li Desheng , Pu Mingliang
Published: August 2024

Vision plays a crucial role in the survival of animals, and the visual system has particularly selectively evolved in response to the visual environment, ecological niche, and species habitats in vertebrate species. To date, a horizontal streak of retinal ganglion cell (RGC) distribution pattern is observed across mammal species. Here, we report that the giant panda's vertically oriented visual streak, combined with current evidence of the animal's forward‐placed eyes, ocular structure, and retinal neural topographic distribution patterns, presents the emergence of a well‐adapted binocular visual system. Our results suggest that the giant panda may use a unique way to processing binocular visual information. Results of mathematical simulation are in favor of this hypothesis. The topographic distribution properties of RGCs reported here could be essential for understanding the visual adaptation and evolution of this living fossil.
Evaluating the perceived brightness of chromatic stimuli with backgrounds of varying luminance
Authors: Avendano Martinez Andrea , Zuena Jake , Pytlarz Jaclyn
Published: August 2024

Reproducing near‐gamut colors on an emissive display often causes them to appear brighter than an achromatic color of the same luminance. This phenomenon can be explained by the Helmholtz–Kohlrausch (H–K) effect, which describes an increase in perceived brightness when increasing the chroma of a stimulus. Although recent studies have attempted to incorporate the H–K effect into their modeling, none of these studies have directly explored how the perception of chromatic stimuli changes with background luminance. In this article, we present results from a psychophysical brightness‐matching experiment conducted across different levels of background luminance. The experimental results show the magnitude of the H–K effect upon simultaneous lightness contrast for high chroma colors. We, then, compare our results to CAM16 and other published models that propose modifications to CAM16 to account for the H–K effect. The findings reveal that CAM16 overestimates the perceived rate of lightness change by more than double for highly saturated, low luminance colors with increasing background luminance levels. Despite the progress made in incorporating the H–K effect into models, our study indicates the need for further data to establish a more accurate and robust modeling of this phenomenon.
Prediction of the Intra‐T Lymphocyte Tacrolimus Concentration after Kidney Transplantation with Population Pharmacokinetic Modeling
Authors: Udomkarnjananun Suwasin , Schagen Maaike R. , Volarević Helena , van de Velde Daan , Dieterich Marjolein , Matic Maja , Baan Carla C. , Reinders Marlies E. J. , de Winter Brenda C. M. , Hesselink Dennis A.
Published: August 2024

The intracellular tacrolimus concentration in CD3+ T lymphocytes is proposed to be a better representative of the active component of tacrolimus than the whole blood concentration. However, intracellular measurements are complicated. Therefore, the aim of this study was to describe the relationship between intracellular and whole blood tacrolimus concentrations in a population pharmacokinetic model. Twenty‐eight de novo kidney transplant recipients, treated with a once‐daily oral extended‐release tacrolimus formulation, were followed during the first‐month post‐transplantation. Additional whole blood and intracellular tacrolimus concentrations were measured at day 6 ± 1 (pre‐dose, 4 and 8 hours post‐dose) and day 14 ± 3 (pre‐dose) post‐transplantation. Pharmacokinetic analysis was performed using nonlinear mixed effects modeling software (NONMEM). The ratio between intracellular (n = 109) and whole blood (n = 248) concentrations was best described by a two‐compartment whole blood model with an additional intracellular compartment without mass transfer from the central compartment. The ratio remained stable over time. Prednisolone dose influenced the absorption rate of tacrolimus, while hemoglobin, CYP3A4*22 allele carrier, and CYP3A5 expresser status were associated with the oral clearance of tacrolimus (P‐value < 0.001). Furthermore, the intracellular tacrolimus concentrations were correlated with the intracellular production of interleukin‐2 (P‐value 0.015). The intracellular tacrolimus concentration can be predicted from a measured whole blood concentration using this model, without the need for repeated intracellular measurements. This knowledge is particularly important when the intracellular concentration is ready to be implemented into clinical practice, to overcome the complexities of cell isolation and analytical methods.
Coumarinacyl Bromides as Unimolecular Photoinitiators for Conjugated Polymer Synthesis under Visible and NIR Light Irradiation
Authors: Wan Mengdi , Liu Xiaoxuan , Yagci Yusuf , Li Zhiquan
Published: August 2024

Two coumarinacyl bromides, 3‐(bromoacetyl)coumarin (BAC) and 3‐(bromoacetyl)‐7‐methoxycoumarin (BACO), were developed for the photopolymerization of N‐ethylcarbazole to construct conjugated polymer under visible and near‐infrared light irradiation. BAC outperformed the conventional phenacyl bromide photoinitiator, exhibiting superior photoinitiation performance due to its optimal absorption characteristics and electron transfer efficiency. The obtained poly(N‐ethylcarbazole) was thoroughly characterized, demonstrating the successful synthesis of a conjugated polymer with desired properties. Dedoping led to improved optical properties and film morphology. The polymerization mechanism was elucidated using transient absorption spectroscopy, revealing efficient electron transfer from the excited photoinitiators to N‐ethylcarbazole.
Transformer fault identification method based on GASF‐AlexNet‐MSA transfer learning
Authors: Zhang Xin , Yang Kaiyue , Jia Lei
Published: August 2024

The transformer is an important part of the power system and ensures the stable operation of the power grid and electricity safety key equipment. With the increase in electricity demand, it is of great significance to ensure the safe and reliable operation of transformers. However, the commonly used dissolved gas analysis (DGA) method in oil for transformer fault identification has significant drawbacks, so this paper proposes a transformer fault identification method based on GASF‐AlexNet‐MSA transfer learning. The use of GASF to convert one‐dimensional dissolved gas analysis (DGA) data into two‐dimensional images, thus enhancing the comprehensiveness of data representation; the utilization of a pre‐trained AlexNet model through transfer learning, which enables the method to efficiently extract complex features such as textures, shapes, and edges; and the introduction of multiple self‐attention mechanisms that further refine the feature extraction and focuses on the key features, thereby improving the accuracy of fault identification. The proposed model achieves a remarkable accuracy of 97.04% on the publicly DGA dataset, which is 5.19% higher than AlexNet, 6.48% higher than VGG16, 6.12% higher than GoogLeNet, 2.41% higher than ResNet, and 3.71% higher than MobileNet. These results underscore the model's strong feature extraction capabilities and its superior performance in transformer fault identification, providing a valuable reference for enhancing the reliability and safety of power systems.
An ice‐obligate seabird responds to a multi‐decadal decline in Arctic sea ice
Authors: Divoky George J. , Jan Pierre‐Loup , Barbraud Christophe
Published: August 2024

The Arctic has experienced greatly decreased sea ice and increased ocean temperatures in recent decades but there is a paucity of biological time‐series data allowing assessment of resulting temporal variation in the region's marine ecosystems. Seabirds, as highly mobile and highly visible, upper trophic‐level predators, can be valuable monitors of modifications in marine ecosystems, especially for regions lacking commercial fisheries or regular oceanographic sampling. Since 1975, we have studied annually an Arctic Alaskan colony of Mandt's black guillemot (Cepphus grylle mandtii), an ice‐obligate diving seabird, specializing on Arctic cod (Boreogadus saida), the primary forage fish of the ice‐associated cryopelagic ecosystem. Using multi‐state capture–mark–recapture models, matrix population models, and perturbation analysis, we quantified the environmental and demographic drivers of population change from 1980 to 2019 for the individually marked population. The colony increased rapidly, from <20 to >200 breeding pairs from 1975 to 1990 in response to increased availability of nesting cavities, before experiencing intermittent declines to <50 pairs in 2021. Immigration and apparent survival were the primary demographic parameters affecting population growth with sea ice extent in late summer and fall the primary environmental driver. The initial growth occurred during a period of primarily negative winter Arctic Oscillations (WAO) and extensive summer sea ice. The decline began when an extremely positive WAO in 1989/1990 initiated changes in atmospheric and oceanographic circulation causing major reductions in summer sea ice throughout the region. The three‐decade decline in the population saw plateaus or minor growth with increasing frequency of negative WAOs and increasing declines following two previously identified “tipping points” in sea ice loss. Breeding success at the study colony declined with decreased availability of Arctic cod due to sea ice loss and increasing sea surface temperature and is presumed to have occurred at the source colonies for immigrants where similar oceanographic changes were occurring. Quasi‐extinction of the colony (reduction to <25 pairs) is predicted within the next two decades. The sensitivity of Mandt's black guillemot to multi‐decadal changes in the Arctic's cryopelagic ecosystem makes it an excellent sentinel species for the region with its recent collapse having dire implications for the Arctic Ocean's constituent species.
Pembrolizumab plus cetuximab with neoadjuvant chemotherapy for head and neck squamous cell carcinoma
Authors: Yao Zhuowei , Wang Jingshuo , Jiang Yongquan , Zhang Yi , Liu Jun , Dai Li , Shen Silin , Zhou Xiang , Liu Qiang , Zheng Luying , Qian Minfei , Li Jiping
Published: August 2024

Purpose

Head and neck cancer cells commonly express programmed death ligand 1 (PD‐L1) and epidermal growth factor receptor (EGFR), both of which play pivotal roles in the antitumor cellular immune response. Pembrolizumab, a PD‐1 inhibitor, and cetuximab, an EGFR inhibitor, are typically effective agents combined with neoadjuvant platinum‐based chemotherapy for the treatment of head and neck squamous cell carcinoma (HNSCC). This study aims to evaluate the efficacy and safety of neoadjuvant immunochemotherapy in patients with HNSCC.

Methods

Patients with HNSCC underwent radical surgery and complete cervical lymph node dissection following neoadjuvant immunochemotherapy at RenJi Hospital from January 2021 to June 2024 were retrospectively analyzed. The primary endpoint was major pathological response (MPR). We further explored the relationship between the efficacy and immune estimators.

Findings

Twenty‐one patients were enrolled in this retrospective study. The MPR was 66.7%, including 11 patients who achieved a pathological complete response (pCR). The overall response rate (ORR) was 90.5%, and the complete response (CR) rate was 28.6%. The oropharynx, as the primary site, was the sensitive tumor type to neoadjuvant immunochemotherapy. The most common adverse event (AEs) was anemia (61.9%). No grade 4 AE or delayed surgery was reported. Laryngeal preservation rates were 90.9% (10/11), and pathological findings confirmed negative surgical margins for all patients. Moreover, pre‐treatment peripheral lymphocyte count, monocyte count, and platelet to lymphocyte ratio (PLR) displayed a significant correlation with the treatment response.

Conclusion

Pembrolizumab plus cetuximab with chemotherapy for patients with HNSCC is a feasible and safe clinical protocol fulfilling organ preservation and life quality improvement. Pre‐treatment peripheral immune estimators could help to screen patients who may respond to the neoadjuvant immunochemotherapy.
Overall survival and cause‐specific mortality in a hospital‐based cohort of retinoblastoma patients in São Paulo, Brazil
Authors: Ribeiro Karina B. , Veiga Lene H. S. , Carvalho Filho Nevicolino P. , Morton Lindsay M. , Kleinerman Ruth A. , Antoneli Célia B. G.
Published: August 2024

Studies are lacking on long‐term effects among retinoblastoma patients in low‐ and middle‐income countries. Therefore, we examined cause‐specific mortality in a retrospective cohort of retinoblastoma patients treated at Antonio Candido de Camargo Cancer Center (ACCCC), São Paulo, Brazil from 1986 to 2003 and followed up through December 31, 2018. Vital status and cause of death were ascertained from medical records and multiple national databases. We estimated overall and cause‐specific survival using the Kaplan–Meier survival method, and estimated standardized mortality ratios (SMRs) and absolute excess risk (AER) of death. This cohort study included 465 retinoblastoma patients (42% hereditary, 58% nonhereditary), with most (77%) patients diagnosed at advanced stages (IV or V). Over an 11‐year average follow‐up, 80 deaths occurred: 70% due to retinoblastoma, 22% due to subsequent malignant neoplasms (SMNs) and 5% to non‐cancer causes. The overall 5‐year survival rate was 88% consistent across hereditary and nonhereditary patients (p = .67). Hereditary retinoblastoma patients faced an 86‐fold higher risk of SMN‐related death compared to the general population (N = 16, SMR = 86.1, 95% CI 52.7–140.5), corresponding to 42.4 excess deaths per 10,000 person‐years. This risk remained consistent for those treated with radiotherapy and chemotherapy (N = 10, SMR = 90.3, 95% CI 48.6–167.8) and chemotherapy alone (N = 6, SMR = 80.0, 95% CI 35.9–177.9). Nonhereditary patients had only two SMN‐related deaths (SMR = 7.2, 95% CI 1.8–28.7). There was no excess risk of non‐cancer‐related deaths in either retinoblastoma form. Findings from this cohort with a high proportion of advanced‐stage patients and extensive chemotherapy use may help guide policy and healthcare planning, emphasizing the need to enhance early diagnosis and treatment access in less developed countries.
Effect of the ICT‐enabled reclaimer system on the informal waste recycling system in Cape Town, South Africa: The Regenize model
Authors: Siwawa Vincent
Published: August 2024

The impact of information and communication technology (ICT)‐enabled waste management systems on municipal solid waste, waste reclaimer integration, and resource recovery is critical, particularly in the informal recycling sector. This study investigates the effects of the ICT‐enabled waste management system in Cape Town, South Africa, with a focus on the Regenize model. Leveraging digital technologies, the Regenize model aims to improve waste picker integration and resource recovery within the local waste management system. A qualitative research methodology involving semi structured interviews with key stakeholders in Cape Town's ICT‐enabled waste reclaimer system, data triangulation, and thematic content analysis was employed to investigate the system's transformative potential. Preliminary findings indicate the Regenize system's alignment with extended producer responsibility (EPR) principles and its embodiment of local entrepreneurial innovation. Waste pickers' active participation as cocreators of waste management mobile platforms has transitioned them from traditional waste collectors to technological contributors, enhancing their role in the waste management ecosystem. Furthermore, the ICT‐enabled waste reclaimer system has significantly regularized the status of foreign waste pickers, providing them with essential rights and access to banking services through mobile platforms. By utilizing Internet and Communication Technologies (ICTs) and the Internet of Things (IoT), the Regenize model not only improves resource recovery but also promotes sustainable waste management practices. This represents a substantial step towards inclusive urban waste management in Cape Town. The study's implications extend beyond Cape Town, offering valuable insights for enhancing waste management practices and promoting sustainability across South Africa's broader waste management landscape.