bluuebunny/crossref_metadata_2025 huggingface dataset:
Copper(I)‐Mediated Site‐Selective Tertiary δ–κ‐C(sp3)−H Bond Chlorination of Ketones and Carboxylic Esters and Amides by Dichloramine‐T
Authors: Diaz Jordan , Zhang Yongsheng , Merrett James Theodore , Or Wai Tsun , Chan Philip Wai Hong
Published: December 2024

A synthetic method to prepare δ–κ‐chloroketones, ‐esters and ‐amides that relies on the copper(I)‐mediated chlorination at the unactivated tertiary δ–κ‐C(sp3)−H bond of ketones, carboxylic esters, and amides by dichloramine‐T is presented. By exploiting the ability of the N‐chloramide to act as both the hydrogen atom transfer (HAT) and chlorination reagent, the reactions were shown to be site‐selective with halogenation only occurring at the unactivated tertiary carbon center situated four to ten C−C bond distances away from the carbonyl functional group in the substrate. The site‐selectivity of the chlorination protocol was further exemplified by the installing of the C−Cl bond at the distal position of one example containing two tertiary carbon centers and the late‐stage functionalization of two drug molecules.
Manganese Promoted Reductive Cross‐Coupling of Phosphine Chlorides with Disulfides for the Synthesis of Thiophosphanes
Authors: Zhang Chao‐Peng , Wang Tian‐Zhang , Yang Zhong‐Jiang , Liang Yu‐Feng
Published: December 2024

Herein we reported a manganese promoted reductive cross‐coupling approach to construct P−S bond. This is a practical method for the synthesis of mono‐thiophosphanes, bis‐thiophosphanes and tri‐thiophosphanes under mild conditions. The strategy featured a wide range of substrate scope including various disulfides and phosphine chlorides, constructing diverse sulfur‐containing organophosphorus compounds from inodorous and readily available starting materials. The employment of reductive conditions avoided the generation of phosphorothioates (PV) by‐products. Ultimately, gram‐scale synthesis and applications were explored. Extensive experiments indicated that the phosphine radical cascade process was involved in the catalytic cycle.
Application‐Targeted Metal Grid‐Enhanced Transparent Electrodes for Organic Photovoltaics
Authors: Burridge Nicholas , Burwell Gregory , Sandberg Oskar J. , Armin Ardalan , Meredith Paul
Published: December 2024

Transparent conducting electrodes (TCEs) are integral components in optoelectronic devices, facilitating both light transmission and electrical conduction. Over the past four decades, substantial advancements have been made in TCE materials, including transparent conducting oxides (TCOs) such as indium tin oxide (ITO) and fluorine‐doped tin oxide (FTO), which remain dominant technologies in practical applications. Despite these advancements, current TCEs exhibit relatively high sheet resistance (Rsheet), posing a significant barrier to the scale‐up of solution‐processed devices such as organic photovoltaics (OPVs). This work addresses the scaling limitations of TCEs in OPVs by proposing the integration of a TCE with a metallic grid (g‐TCE) to mitigate the high Rsheet issue. The performance of g‐TCEs in OPVs is evaluated across various irradiance levels and TCE Rsheet values. Additionally, a novel, unitless figure‐of‐merit tailored to specific PV devices is introduced, which enables benchmarking beyond traditional TCE FoMs. Exemplifications of g‐TCEs include aluminium‐doped zinc oxide (AZO), which has an equivalent Rsheet of 0.5 Ω □−1, while maintaining an average visible transmittance exceeding 77%, outperforming all state‐of‐the‐art monolithic TCE materials. These findings demonstrate that g‐TCEs present a viable pathway for the development of large‐area, solution‐processed PV devices.
Ameliorating Device Efficiency of Perovskite Solar Cells via Low‐Cost Interfacial Modification between SnO2 and Perovskite Absorber
Authors: Wang Ching‐Ying , Yang Sheng‐Hsiung
Published: December 2024

To reduce surface defects and tune mismatched energy levels between the tin oxide (SnO2) electron transport layer (ETL) and perovskite absorber, a mixture of urea and potassium acetate (U‐PA) is firstly utilized as a healing agent. The perovskite film deposited on the SnO2/U‐PA layer exhibits enlarged grains and shortened carrier lifetime compared to that on the pristine SnO2. The U‐PA treatment not only ameliorates the photocurrent but also adjusts interfacial energy level alignment, thereby reducing the energy barrier and augmenting open‐circuit voltage (VOC) of the photovoltaic devices. The device based on the SnO2/U‐PA ETL leads to the best conversion efficiency breakthrough of 19.24% and a high VOC of 1084.5 mV, which are much higher than those of the controlled device. Moreover, the unencapsulated device retains 70% of its initial efficiency after 800 h storage. The experimental results provide a facile and inexpensive guidance toward sustainable green energy production.
Resilience of Small Beef Packers and the USDA Meat Supply Chain Initiative
Authors: Dhoubhadel Sunil P. , Azzam Azzeddine , Khanal Binod
Published: December 2024

We focus on the plant‐size resilience relationship among small beef packers during COVID‐19. Defining resilience as the ability to maintain or increase slaughter and non‐resilience as otherwise, we use survey and secondary data to estimate a logit model where resilience is a function of a plant's capacity and age in addition to labor condition variables, COVID‐19 policy, and beef production status of the state in which the plant is located. We find resilience is inversely related to plant size but is highest in states with a mask mandate. Implications for the efficacy of the USDA capacity expansion program are highlighted.
Subacute Neuropathy Post‐Liver Transplantation in Zellweger Spectrum Disorder: A Case Report
Authors: Gonzalez Clarissa , Cohen Madelyn J. , Hong Juhee , Calame Daniel , Marri Kavitha , Harpavat Sanjiv , Wangler Michael F. , Mysore Krupa
Published: December 2024

Peroxisome biogenesis disorders‐Zellweger spectrum disorder (PBD‐ZSD) is a rare genetic disease caused by mutations in the genes involved in peroxisome biogenesis. PBD‐ZSD presentations vary in severity, and treatment of PBD‐ZSD remains supportive focused on specific complications. A few reported cases of the use of liver transplantation to treat either neurological symptoms or liver dysfunction and cirrhosis in PBD‐ZSD have been published. In this case report, we document the course of a 16‐year‐old boy diagnosed with PBD‐ZSD and a delayed and unexpected neuropathy that developed after undergoing orthotopic liver transplantation (OLT) for which the indication was liver cirrhosis. Following OLT, the patient's gamma‐glutamyl transferase (GGT), aspartate aminotransferase (AST), alanine transaminase (ALT), and albumin normalized; however, he developed a polyneuropathy, the cause of which was investigated with conditions such as inflammatory neuropathies (Guillain Barré syndrome: GBS/chronic inflammatory demyelinating polyneuropathy: CIDP), drug effect, or underlying complication of PBD‐ZSD all considered possible. His neuropathic symptoms improved and therefore this case represents an exploration of an apparent delayed and resolving subacute neuropathy in PBD‐ZSD after OLT.
Functional Roles of Five Cytochrome P450 Transcripts in the Susceptibility of the Yellow Fever Mosquito to Pyrethroids Revealed by RNAi Coupled With Insecticide Bioassay
Authors: Soumalia Issa Moustapha , Johnson Rachel , Park Yoonseong , Zhu Kun Yan
Published: December 2024

We evaluated the possible roles of five cytochrome P450 transcripts in the susceptibility of both adults and larvae of Aedes aegypti to three pyrethroids using RNA interference (RNAi) coupled with insecticide bioassays. RNAi by feeding larvae with chitosan/dsRNA nanoparticles led to reductions of CYP6AA5, CYP6AL1, CYP9J32, CYP4J16A, and CYP4J16B transcripts by 38.7%, 46.0%, 46.52%, 44.0%, and 41.0%, respectively, and increased larval mortality by 46.0% to permethrin when CYP9J32 was silenced and by 41.2% to cypermethrin when CYP6AA5 was silenced. RNAi by injecting dsRNA in adults led to reductions of CYP6AA5, CYP6AL1, and CY4J16A transcripts by 77.9%, 80.0%, and 87.1% (p < 0.05), respectively, at 96 h and reduction of CYP9J32 transcript by 46.5% at 24 h after injection. In contrast, CYP4J16B was repressed by 78.2% at 72 h after injection. Exposure of the adults injected with CYP6AA5 dsRNA resulted in 1.5‐ to 2.0‐fold increased susceptibility to cypermethrin as compared with the control. Homology modeling of CYP6AA5 followed by ligand docking showed that distances between the heme iron and the putative aromatic hydroxylation site were 9.2, 7.2, and 9.1 Å for permethrin, cypermethrin, and deltamethrin, respectively. For the aliphatic hydroxylation site, these distances were 5.3, 4.9, and 3.1 Å. These results supported that CYP6AA5 may be able to metabolize cypermethrin preferentially by aliphatic hydroxylation as indicated by the close interaction with the heme iron. Our study also suggests that the detoxification roles of cytochrome P450 genes in A. aegypti may vary according to the mosquito developmental stages, cytochrome P450 genes, and insecticides.
False Confessions: An Integrative Review of the Phenomenon
Authors: Welner Michael , DeLisi Matt , Janusewski Theresa
Published: December 2024

Confessions are an important evidentiary part of the legal process, and false confessions have been notable contributors to wrongful convictions. However, academic research in the psychology and law field primarily relies on student or volunteer samples in staged exercises, methodological features that lack ecological validity for replicating police interrogation or the pressures distinctive to high stakes crime investigations. Here, we provide an integrative review of research and data on false confessions during police interrogations with distinctions of key concepts, relevant case law pertaining to confessions including several U.S. Supreme Court decisions, updating the typology of false confessions, the quantification of false confessions, risk factors for false confessions, interrogation risk factors for false confessions, validity threats to false confessions research, and recommended directions for informing courts and the law.
Psychotherapists' interoceptive awareness and accuracy
Authors: Halonen Satu , Laitila Aarno , Parviainen Tiina , Kykyri Virpi‐Liisa
Published: December 2024

Objective

This study examined the different dimensions of interoception in psychotherapists to better understand the significance of interoception in therapeutic work.

Methods

Data on objectively defined interoceptive accuracy, response confidence and subjectively assessed interoceptive awareness were collected from psychotherapists. Forty Finnish psychotherapists varying in work experience and theoretical orientation participated in this field study. The interoceptive awareness of their clients (n = 67) in individual psychotherapy was also assessed. The psychotherapists' interoceptive accuracy was compared with that of a reference sample of working adults (n = 38). Data were analysed using mixed methods. The research approach was descriptive and pragmatic.

Results

The results showed statistically significantly higher interoceptive awareness in the psychotherapists than clients, which showed a large effect size: Cohen's d = 1.54, 95% CI [1.10, 1.99]. However, the therapists' interoceptive accuracy did not differ from that of a reference sample of persons without therapy training, d = 0.06, CI [−0.40, 0.53].

Conclusion

Expanding knowledge on interoception can help psychotherapists to develop professionally while supporting their psychological well‐being. This study contributes to research on the role of interoceptive accuracy and awareness in embodied interaction in psychotherapy.
Cytokine expression and cytokine‐mediated cell–cell communication during skeletal muscle regeneration revealed by integrative analysis of single‐cell RNA sequencing data
Authors: Barai Pallob , Chen Jie
Published: December 2024

Skeletal muscles undergo self‐repair upon injury, owing to the resident muscle stem cells and their extensive communication with the microenvironment of injured muscles. Cytokines play a critical role in orchestrating intercell communication to ensure successful regeneration. Immune cells as well as other types of cells in the injury site, including muscle stem cells, are known to secret cytokines. However, the extent to which various cell types express distinct cytokines and how the secreted cytokines are involved in intercell communication during regeneration are largely unknown. Here we integrated 15 publicly available single‐cell RNA‐sequencing (scRNA‐seq) datasets of mouse skeletal muscles at early regeneration timepoints (0, 2, 5, and 7 days after injury). The resulting dataset was analyzed for the expression of 393 annotated mouse cytokines. We found widespread and dynamic cytokine expression by all cell types in the regenerating muscle. Interrogating the integrated dataset using CellChat revealed extensive, bidirectional cell–cell communications during regeneration. Our findings provide a comprehensive view of cytokine signaling in the regenerating muscle, which can guide future studies of ligand‐receptor signaling and cell–cell interaction to achieve new mechanistic insights into the regulation of muscle regeneration.
Linear and Two‐Dimensional Infrared Spectroscopy of the Multifunctional Vibrational Probe, 3‐(4‐Azidophenyl) Propiolonitrile. Deperturbing a Fermi Triad by Isotopic Substitution
Authors: Gräve Claudia , Lindner Jörg , Flesch Stefan , Domenianni Luis I. , Vöhringer Peter
Published: December 2024

Infrared probes are chemical moieties whose vibrational modes are used to obtain spectroscopic information about structural dynamics of complex systems; in particular, of biomacromolecules. Here, we explore the vibrational spectroscopy and dynamics of a reagent, 3‐(4‐azidophenyl)propiolonitrile (AzPPN), for selectively tagging thiols in protein environments with a multifunctional infrared probe containing both, an azide and a nitrile chromophore. The linear infrared spectrum of AzPPN is heavily perturbed in the antisymmetric azide stretching region as a result of accidental Fermi resonances. Isotopically labeling the azide group at the β‐position deperturbs the spectrum considerably and reveals two combination tones that mix with the antisymmetric stretching fundamental into a Fermi triad of hybrid vibrational excitations. Moreover, two‐dimensional infrared (2DIR) spectra were recorded for 15Nβ‐labeled AzPPN, which reveal waiting‐time‐dependent spectral shifts of diagonal peaks and dynamic buildups of cross peaks. The 2DIR‐spectral evolution is indicative of intramolecular distribution of the pump‐induced excess vibrational energy into low‐frequency modes of the molecule that are coupled to either the azide or the nitrile stretching transition dipoles. Finally, IR‐pump/IR‐probe spectra with selective narrowband excitation reveal a time constant of 2.3 ps for intramolecular vibrational redistribution (IVR) and 18 ps for the final energy dissipation into the solvent. The cross‐peak dynamics corroborate a notion in which IVR within the AzPPN‐molecule is an irreversible process.
Distinct Mechanisms of Triplet Pair Decay in Amorphous and Crystalline Heteroacene Thin Films
Authors: Rugg Brandon K. , De Angana , Santhakumar Sarath , Ma Qiushi , Fluegel Brian , Thorley Karl J. , Anthony John E. , Huang Libai , Johnson Justin C.
Published: December 2024

Triplet pairs (TT) in crystalline molecular semiconductors have unique spin properties of interest for quantum information or enhancing solar photoconversion. The population and diffusion dynamics of TT have been the subject of recent studies, both in covalent dimers and in crystalline systems. Here, we monitor the triplet population in neat polycrystalline and amorphous films of a heteroacene with known TT spectral properties and tunable spin polarization depending on the intermolecular geometry. Transient measurements reveal an anomalous power dependence in polycrystalline films that we attribute to the fast diffusion and interaction of dissociated triplet pairs confined to one‐dimensional stacks of strongly coupled molecules. The nongeminate triplet interaction after dephasing facilitates conversion to the triplet 3TT and eventually T1+S0. Amorphous films have no power dependence and proceed directly from 1TT to 3TT and subsequently T1+S0 via state mixing facilitated by nonparallel geometries and weak exchange coupling.
Sustainable Pb(II) Removal and Recovery from Wastewater Using a Bioinspired Metal‐Phenolic Hybrid Membrane with Efficient Regeneration
Authors: Song Yaran , Zhang Manyu , Chen Zichang , Jian Meili , Ling Chen , Zhang Qingrui
Published: December 2024

High‐performance adsorbents often require efficient selectivity in wastewater, recoverability, and ease of multiple regeneration cycles, but achieving this remains a significant challenge. We report a new strategy for the efficient removal of lead (Pb(II)) from contaminated water streams using an innovative tannic acid (TA)‐Fe(III)‐based metal‐phenolic network (MPN) hybrid membrane (MPN‐PAM). This novel membrane exploits the tunable pH‐sensitive coordination structure of the MPN to achieve selective removal and recovery of Pb(II) while enabling efficient membrane regeneration by filtration. This membrane demonstrates superior selectivity for Pb(II) with a removal efficiency of up to 98 % and an adsorption capacity of approximately 117.58 mg/g, even in the presence of high salinity, as well as coexisting heavy metals. The membrane maintains high Pb(II) removal efficiency over 20 consecutive cycles and 95 % efficiency over 10 regeneration cycles. Under continuous operation, it treats approximately 85 L per m2 of membrane, reducing Pb(II) concentrations to trace levels (~40 μg/L), meeting electroplating wastewater standard (GB21900‐2008). Additionally, even low concentrations of Pb(II) (<5 mg/L) are efficiently purified to below WHO drinking water standard (10 μg/L). The operational cost for treating Pb(II)‐contaminated wastewater is about $0.13 per ton, highlighting the cost‐effectiveness and potential for large‐scale application in wastewater treatment.
Supercritical CO2 in the Development of Highly Efficient Composite Cathodes for Li‐S Batteries
Authors: Shiva Shankar Lakshmi , Ovc‐Okene Derek , Székely Edit , Kőrösi Márton , Kun Robert
Published: December 2024

Conventional Li−S battery cathode synthesis routes are time‐consuming, energy‐intensive, use toxic solvents, and yet fail to effectively confine sulfur into carbon matrices, reducing the cathode efficiency. Supercritical CO₂ (scCO2) presents notable benefits as a “green solvent” due to its affordability, chemical inertness, recyclability, non‐flammability, and non‐toxicity. It eliminates the need for energy‐intensive post‐heat treatments, providing a more sustainable and efficient option. CO2 in supercritical state gains unique gas‐like and liquid‐like properties that enable precise sulfur loading, uniform encapsulation, and improved sulfur‐carbon interactions, which enhance conductivity and reaction kinetics. Recent studies show that cathodes prepared using scCO2 exhibit exceptional electrochemical performance, including long‐term cycling stability and high coulombic efficiency. The versatility of scCO2 in infiltrating various host architectures also makes it suitable for a wide range of cathode designs. Despite its tremendous potential, this advanced synthesis technology is often overlooked in textbooks, underscoring the need for awareness within the research community. This review highlights the remarkable features of scCO2 and examine up‐to‐date research progress, focusing on its application in developing high‐performance carbon/sulfur composite cathodes. An application‐focused audience would benefit from a summary of this review, as they reveal new Li−S cathode synthesis technologies that haven't been widely explored or discussed.
Antiseizure medication prescribing in people with Dravet syndrome: An analysis of real‐time administrative data
Authors: Xu Kevin Y. , Lin Binx Yezhe , Perry M. Scott , Nascimento Fábio A.
Published: December 2024

Since 2018, three new antiseizure medications (ASMs) received FDA approval for Dravet syndrome (DS) in the U.S: cannabidiol, stiripentol, and fenfluramine. Yet, the uptake of these ASMs in routine clinical practice is unknown. We use new ICD‐10 codes for DS (implemented in 2020) to estimate ASM receipt in patients with DS. We analyzed the TriNetX Network, a real‐time electronic health record‐based dataset linked to prescription data encompassing all 50 states of the U.S. After identifying patients with health care encounters for DS in 2021 and 2022 (via ICD‐10 codes), we examined ASM prescribing in the year following a DS claim: 2022 and 2023, respectively. We retrieved 387 and 451 patients receiving claims for DS in 2021 and 2022, respectively. Clobazam, diazepam, valproate, midazolam, clonazepam, levetiracetam, and cannabidiol were the most common ASMs used (29%–44%). Stiripentol and fenfluramine prescribing was limited (7%–16%); these two ASMs, considered second‐line therapies in DS, were prescribed less often than ASMs considered third‐line or beyond. Cannabidiol, stiripentol, and fenfluramine prescribing rates remained nearly identical in the 2021 and 2022 cohorts. Our data suggests that stiripentol, fenfluramine, and, to an extent, cannabidiol may be underused in a large, diverse, primarily U.S.‐based population of patients with DS.

Plain Language Summary

In an analysis of routinely‐collected health care claims in the U.S., we found that the uptake of new antiseizure medications for Dravet Syndrome (i.e., stiripentol, fenfluramine, and cannabidiol) has been limited since 2022. Even though stiripentol and fenfluramine are considered second‐line treatments for Dravet syndrome, we found they were prescribed less frequently than medicines considered third‐line or beyond. These findings raise concern for underutilization of new antiseizure medications for Dravet syndrome in the United States.
Nutritional Supplementation to Preserve Healthy Lean Mass and Function During Periods of Pharmacological and Nonpharmacological‐Induced Weight Loss: Protocol for a Systematic Review and Meta‐Analysis
Authors: James Emily , Kelsey Ryan J. , Sargeant Jack A. , Henson Joe , Yates Tom , Wilkinson Thomas J.
Published: December 2024

Background and Aims

Weight loss without adequate anabolic stimuli can lead to reductions in lean, as well as adipose, tissue. Health benefits typically associated with weight loss are therefore attenuated, as body composition potentially shifts from an obese to sarcopenic/frail phenotype. In contrast to the traditional connotation of frailty, this might occur in younger adults and is characterized by reduced performance in functional tasks of daily living. Nutritional supplements as an adjunct to weight loss intervention could support the maintenance of lean mass, particularly if structured exercise is contraindicated. This systematic review aims to quantify the effect of nutritional supplements, without concurrent exercise, on lean mass in individuals undergoing pharmacological and nonpharmacological‐induced weight loss.

Methods

This protocol describes a prospective systematic review and meta‐analysis of randomized controlled trials investigating the effect of nutritional supplements on lean mass during weight loss. Comparison arms will not use nutritional supplements. Literature searches will be conducted using the following online databases: Embase, MEDLINE, Web of Science, Google Scholar, and OpenGrey. Outcome measures related to body composition, lean mass, skeletal muscle mass/size, or physical function will be extracted. Risk of bias will be assessed using the United States National Heart Lung and Blood Institute quality assessment tool for controlled intervention studies. A meta‐analysis will be conducted to synthesize comparable outcomes.

Results

The results of this review will be reported in adherence to PRISMA (Preferred Reporting Items for Systematic Review and Meta‐Analysis Protocols) standards, and published in a peer‐reviewed journal.

Conclusion

This study will be the first to systematically review nutritional interventions for the preservation or accretion of lean mass during weight loss. This review will identify gaps in the literature and inform the development of optimized weight loss strategies, for use in research and practice.

Trial Registration

International Prospective Register of Systematic Reviews: PROSPERO CRD42024521540.
Maternal oxygenation and fetal‐neonatal mortality among patients with COVID‐19 requiring advanced respiratory support in ICU: A multicenter prospective cohort study
Authors: Vasquez Daniela N. , Giannoni Roberto , Salvatierra Adriana , Cisneros Karina , Lafosse Diego , Escobar María F. , Montenegro Martín , Juárez Paula , Visani Lucía , Mandich Verónica , Barrozo Erika , Kirschbaum Mariana , Das Neves Andrea V. , Valenti María F. , Canseco María C. , Romero Ignacio , Macharé Pedro , Marquez Ana K. , Rodriguez Eva , Palacio Cristina , Rapela Laura , Amillategui Scenna José M. , Nuñez Rosshanna , Torres Sebastián , González Miguel A. , Franconieri Lorena , Nasner Daniela , Okurzaty Patricia , Plotnikow Gustavo A. , Intile Alfredo D.
Published: December 2024

Objective

To explore the association of maternal characteristics, oxygenation, and mechanical ventilatory parameters with fetal and neonatal outcomes.

Methods

The present study was a multicenter, binational (Argentina/Colombia), prospective, cohort study, conducted in 21 intensive care units (ICUs) and including pregnant or postpartum patients with COVID‐19 pneumonia requiring advanced respiratory support and their fetuses/neonates. Advanced respiratory support was defined as high‐flow nasal cannula (HFNC), non‐invasive ventilation (NIV) or invasive mechanical ventilation (IMV).

Results

A total of 91 patients were admitted to 21 ICUs: 63 (69%) antepartum and 28 (31%) postpartum. Among those admitted antepartum (63), delivery was induced in 43 (68.3%), being the reasons mostly maternal (28/43; 65.1%). Of 71 births, 64 (90%) were preterm. A total of 14 fetal/neonatal losses (14/91;15.4%) occurred. The main differences between patients whose fetuses/neonates survived versus those who did not survive were in APACHE II (12 [7–15] vs. 16.5 [14–20]; P = 0.003), SOFA24 (4 [3–5] vs. 6.5 [5–8]; P = 0.001), gestational age at delivery (32.9 ± 3 vs. 27.6 ± 6.2; P = 0.014), acute respiratory distress syndrome (54 [70.1%] vs. 14 [100%]; P = 0.011), septic shock (26 [33.8%] vs. 9 [64.3%]; P = 0.031), IMV (55 [71.4%] vs. 14 [100%]; P = 0.019) and plateau pressure before delivery (23 [21–26] vs. 28 [27–30]; P = 0.019). The incidence of fetal/neonatal mortality among 47 pregnant patients requiring IMV with SpO2 < 95% versus SpO2 >95% before intubation was 12/35 (34.28%) versus 1/12 (8.33%), respectively; P = 0.163. The incidence of fetal/neonatal mortality among those with SpO2 <95% versus SpO2 >95% before delivery was 5/18 (27.77%) versus 8/29 (25.58%), respectively; P = 0.999.

Conclusion

The vast majority of births were preterm. Among patients admitted antepartum, most deliveries were induced for maternal reasons. Fetal/neonatal losses were associated with gestational age at delivery, maternal severity of illness on admission and certain ventilatory parameters but not with maternal oxygenation, as is commonly the focus in these patients.
The accuracy of DNA methylation detection in endometrial cancer screening: A systematic review and meta‐analysis
Authors: Ran Ran , Wang Ming , Miao Jin Wei
Published: December 2024

Objective

DNA methylation is the hallmark of early endometrial cancer and can be detected through non‐invasive methods. The present study systematically reviewed the efficacy of DNA methylation detection for endometrial cancer screening through exfoliative cytology.

Methods

A systematic literature review was performed through the following databases from inception to October 7, 2024: PubMed, Embase, and the Cochrane Library. Studies on DNA methylation detection for endometrial cancer screening through exfoliative cytology were included. The study was conducted according to the Preferred Reporting Items for Systematic Reviews and Meta‐Analyses guidelines. The relevant variables included cytologic sample type, methylated genes, and marker performance (i.e., AUC value, sensitivity, specificity, and the corresponding 95% confidence interval [CI]), as well as the bias risk assessment according to the Cochrane Collaboration tool (Cochrane Intervention Systematic Review Guide 5.1.0).

Results

A total of 31 genes were selected from 20 studies as methylation markers for endometrial cancer detection in cytologic specimens. A total of 19 methylation markers for endometrial cancer detection with an area under the curve value from 0.80 to 0.97 were selected from 10 studies.

Conclusion

Cytology‐based DNA methylation markers are feasible and accurate non‐invasive methods for the early detection of endometrial cancer screening in high‐risk populations.
Diversity, equity, inclusion, and accessibility: Alignment with the mission and core values of the American College of Clinical Pharmacy
Authors: Kolpek Jimmi Hatton , Haas Curtis E. , Kolesar Jill M. , Tisdale James E.
Published: December 2024

Responding to the changing landscape of health care is a critical responsibility of the American College of Clinical Pharmacy (ACCP). Aligned with its mission of extending the frontiers of clinical pharmacy, ACCP is committed to embracing diversity and inclusion as a core value. Creating a comprehensive organizational strategy reflecting the College's authentic endeavors to embrace the tasks required is an ongoing effort. ACCP is embracing an inclusive vision whereby all members can feel welcomed, valued, respected, and heard. Belief that the journey will bring diverse voices, leadership, and understanding for all clinical pharmacists sustains the College's motivation toward this goal. In this commentary, we, as past presidents of ACCP, are learning the challenges related to this endeavor and systematically addressing each issue. Each ACCP member is an essential partner as the College strives toward being an inclusive organizational home for all clinical pharmacists. This commentary summarizes the rationale for this work and the alignment of ACCP's efforts with its core values. We must remain firm in our belief that inclusive clinical pharmacy leaders can recognize diversity and equity gaps, mobilize as advocates to amplify underrepresented voices, and transform hope into action for future generations.
PPARδ Antagonist Inhibited CD47 Expression and Phagocytosis
Authors: Guo Yilei , Khan Bibimaryam , Shi Juanjuan , Hou Yongzhong
Published: December 2024

Increasing evidence suggests that CD47 is highly expressed in multiple types of cancer, which could bind to SIRPα on macrophage, leading to inhibition of macrophage phagocytosis and promotion of tumor growth. However, the regulatory mechanism of CD47 gene expression is not completely clear. Our results indicated that colon cancer cells treated with GSK0660 drug, which is one of the PPARδ antagonists, significantly reduced CD47 gene and protein expression levels in a time and dose‐dependent manner. CD47 reporter plasmid was constructed and dual‐luciferase analysis was performed. The results suggest that GSK0660 treatment markedly reduced CD47 gene transcriptional activity. Moreover, co‐cultured analysis showed that GSK0660 treatment increased phagocytosis. BALB/C mice implanted with CT‐26 colon cancer cells were treated with GSK0660, and the results showed that GSK0660 significantly inhibited tumor growth. Moreover, the combination of CD47 monoclonal antibody with GSK0660 drug significantly inhibited tumor growth compared to GSK0660 or CD47 antibody treatment alone. These findings suggest that GSK0660 synergized with CD47 antibody to enhance antitumor immunotherapy.
Assessment of DFT Functionals for Predicting the Magnetic Exchange Coupling Constants of Nonalternant Hydrocarbon Diradicals: The Role of Hartree–Fock Exchange
Authors: Shil Suranjan
Published: December 2024

The magnetic nature of nonalternant hydrocarbon (Azulene) bridged nitronyl nitroxide (AzNN2) and imino‐nitroxide (AzIN2) diradicals are investigated with 38 different DFT functionals to find out a correct functional to predict the magnetic nature of these diradicals. The effect of Hartree–Fock exchange (HFX) in the hybrid functionals are investigated for the prediction of magnetic nature of the nonalternant hydrocarbon bridged diradicals. The utility of Borden and Davidson's proposal of disjoint and nondisjoint SOMOs for the prediction of magnetic nature of alternant hydrocarbon bridged diradicals is assessed for the nonalternant hydrocarbon based diradicals. The more affordable meta‐GGA functionals was found to be outperforming the costlier hybrid and double‐hybrid functionals in predicting the magnetic properties of nonalternant hydrocarbon‐bridged diradicals. HFX significantly influences a functional's ability to predict a diradical's magnetic nature. Interestingly, Borden and Davidson's concept of disjoint and nondisjoint SOMOs, which is used to predict the magnetic behavior of alternant hydrocarbon diradicals, is reversed for nonalternant hydrocarbon‐bridged diradicals. The difference in the magnetic nature of the two diradicals come from the canonical molecular orbitals of the diradicals, one has set of disjoint SOMOs and other has nondisjoint SOMOs.
A First‐Principle Study Investigating the Half‐Metallic and Mechanical Properties of Double Halide Perovskites Rb2OsX6 (X = cl, Br, and I) for Spintronic Applications
Authors: Boubchir Mohamed , Bordjiba Zeyneb , Amraoui Rabie , Boubchir Rachid , Aourag Hafid
Published: December 2024

In this work, we present a density functional calculation of the structural, electronic, and mechanical properties of cubic double halide perovskites Rb2OsX6 (X = Cl, Br, and I). Our results show that these compounds are stable in the ferromagnetic phase with lattice parameters, bulk modulus, and their first‐pressure derivatives in good agreement with other available theoretical data. The negative values of cohesive energy and formation energy, along with the absence of negative or imaginary frequencies in the phonon spectrum, confirm the mechanical stability of all the compounds. The Curie temperature (Tc) is determined using a Heisenberg model in the mean‐field approximation. We obtained a half‐metallic character for all compounds, making them promising materials for spintronic applications. The magnetic properties indicate that the Os atoms in all compounds are responsible for the magnetism, while the positive exchange constants suggest a strong preference for ferromagnetic alignment. This indicates a stable ferromagnetic phase and potential applications in spintronics. The mechanical properties demonstrate that the compounds studied are isotropic and ductile.
Mechanism of Ampicillin Hydrolysis by New Delhi Metallo‐β‐Lactamase 1: Insight From QM/MM MP2 Calculation
Authors: Lai Rui , Li Hui
Published: December 2024

The New Delhi metallo‐β‐lactamase 1 (NDM‐1) can hydrolyze nearly all clinically important β‐lactam antibiotics, narrowing the options for effective treatment of bacterial infections. QM/MM MP2 calculations are performed to reveal the mechanism of ampicillin hydrolysis catalyzed by NDM‐1. It is found that the rate‐determining step is the dissociation of hydrolyzed ampicillin from the NDM‐1 active site, which requires a proton transfer from the bridging neutral water molecule to the newly formed carboxylate group. The precedent reaction steps, including the hydroxide nucleophilic addition, CN bond cleavage, and the protonation of the negative lactam N atom by a solvent water molecule, all require insignificant activation free energies. The calculated activation free energy for this rate‐determining proton transfer step is 16.0 kcal/mol, in good agreement with experimental values of 13.7 ~ 14.7 kcal/mol. This proton transfer step exhibits a solvent hydrogen‐deuterium kinetic isotope effect of 3.4, consistent with several experimental kinetic results.
Exploring Inhibition Mechanisms in Wildtype and T315I BCR‐ABL1: An In Silico Approach Integrating Virtual Screening, MD Simulations, and MM‐GBSA Analysis
Authors: Balta Ozlen , Yilmaz Ercument , Tatar Yilmaz Gizem
Published: December 2024

The BCR‐ABL tyrosine kinase which is responsible for the pathogenesis of chronic myeloid leukemia (CML), has emerged as a promising therapeutic target. To address this issue, we employed a comprehensive computational approach integrating virtual screening, molecular dynamics (MD) simulations, and MM‐GBSA (Molecular Mechanics/Generalized Born Surface Area) analysis to identify potential inhibitors and elucidate their binding mechanisms. Initially, virtual screening was conducted on 994 compounds from the ZINC database and, these compounds were docked against wildtype and T315I mutant ABL1 for the Type I and Type II ABL1 kinase inhibition mechanisms. In our molecular docking analysis for Type I inhibition, compound 911 demonstrated notable affinity towards the wildtype ABL1, with a binding energy of −14.91 kcal/mol, while compound 972 showed significant binding affinity towards the mutant ABL1, with a binding energy of −14.27 kcal/mol. In the Type II inhibition mechanism, the compounds with the highest binding affinity were compound 261 in wildtype ABL1 with −17.05 kcal/mol binding energy and compound 966 to the mutant ABL1 with a binding energy of −16.29 kcal/mol. Furthermore, analyses of MD simulations and MM/GBSA binding free energy (ΔG) were performed for target proteins with compounds, that exhibited the most favorable binding affinities with target proteins. The selected hit compounds showed ΔG scores ranging from −118.09 to −74.85 kJ/mol in both wildtype and mutant ABL1. Considering all in silico studies performed, it can be inferred that the identified molecules hold promise as potential candidates for drug design aimed at targeting CML.
Better late than never? Gift givers overestimate the relationship harm from giving late gifts
Authors: Haltman Cory , Herziger Atar , Donnelly Grant E. , Reczek Rebecca Walker
Published: December 2024

Past work has found that there is often a mismatch between the types of gifts that individuals send and the types of gifts that recipients would prefer to receive. Moving beyond gift choice, the present work explores a novel type of giver–recipient mismatch—beliefs about the importance of sending an on‐time gift. Specifically, the current work offers evidence that gift givers systematically overestimate the negative impact that a late occasion‐based gift will have on their relationship with the recipient, which occurs because gift givers believe that sending a late gift will signal that they care about the recipient to a lesser extent than what the recipient perceives. As such, gift givers' overestimation of relationship harm from a late gift is attenuated when they signal care in some other way (e.g., with the amount of effort put into creating the gift). Finally, we explore the consequences of degree of gift lateness as well as the decision to not send an occasion‐based gift at all on gift givers' overestimation of relationship harm.
Outcomes of Postchemoradiotherapy Watch‐and‐Wait Strategy in Patients With Rectal Cancer: A 20‐Year, Single‐Center Study
Authors: Chen Shuo‐Fu , Yang Shung‐Haur , Jiang Jeng‐Kai , Wang Ling‐Wei
Published: December 2024

Background and Objectives

The watch‐and‐wait (WW) strategy is a nonsurgical alternative for patients with rectal cancer exhibiting an excellent response to chemoradiotherapy. Studies on the WW strategy have primarily investigated 5‐year oncological outcomes; few have focused on longer‐term outcomes or the optimal patient selection approach for this therapeutic strategy.

Methods

This retrospective study enrolled patients with locally advanced rectal adenocarcinoma who had achieved complete response after chemoradiotherapy. Patients who achieved pathological complete response were categorized into a control group (n = 95) and those who achieved clinical complete response and were managed using the WW strategy were categorized into a case group (n = 33). Kaplan–Meier estimates were calculated for the between‐group comparison of survival.

Results

The median follow‐up duration was 89 months. Compared with the control group, the case group exhibited improved long‐term sphincter preservation, particularly for low‐lying tumors (p = 0.032), and inferior nonlocal‐regrowth disease‐free survival (p = 0.007). Within the case group, patients achieving a complete response by positron emission tomography exhibited 5‐year survival rates similar to those achieving a complete endoscopic response.

Conclusion

The WW strategy is associated with improved sphincter preservation but worse nonlocal‐regrowth disease‐free survival. The potential of PET in patient selection for this strategy deserves further investigation.
Changes in the Properties of Two Typical Plant Species and Their Rhizosphere Bacteria in Eco‐Restoration of Engineered Slopes on the Qinghai–Tibet Plateau
Authors: Li Qi , Wu Xinzhi , Mou Pengwei , Kang Yaxin , He Yangqiutong , Shen Yifan , Lei Ningfei , Zhang Weibiao , Liu Shenghui , Sun Huazhang , Zhang Xiaochao , Pei Xiangjun
Published: December 2024

Slopes that are created by extensive engineering construction projects accelerate the degradation of the ecologically fragile Qinghai–Tibetan Plateau. This adverse impact can be mitigated by implementing ecologically sound restoration programs in these degraded sites. This study investigated the changes in the physiology of two typical plant species and their rhizosphere bacteria on four different engineered slopes subjected to eco‐restoration on the Qinghai–Tibet Plateau. The findings showed that the shear strength, nutrition, and enzymatic activity of the plant rhizosphere improved significantly, and these were positively associated with the restoration effect on vegetation. The growth and development of plants in the frame beam group and the shotcrete group were optimized. The microbial diversity in the plant rhizosphere soil in the restoration areas exhibited a comparable degree of change to the control soil, characterized by a decrease in the relative abundance of microbial phyla and alterations in the indicator species at the order level. However, the community stability in the restoration areas was notably higher than that in the control group. This study offers significant implications and practical value for the eco‐restoration of engineered slopes in alpine regions, which provides a sustainable development framework for protecting fragile ecosystems.
Integrated Carbon Nanotube and Ketoenamine‐Linked Covalent Organic Framework with Positive Charge Structure as High‐Performance Capacitive Materials
Authors: Yao Chan , Zhao Haoyu , Liu Qiushi , Xu Yanhong , Ding Xuesong
Published: December 2024

A series of composite materials, ETB@CNT (ETB@CNT10, ETB@CNT20, ETB@CNT30, ETB@CNT40, ETB@CNT50) with different carbon nanotubes (CNTs) contents are successfully prepared by using one‐pot method. Compared with the pure ET‐B‐COF, which is a ketoenamine‐linked covalent organic framework (COF) with a positive charge structure, CNTs can effectively improve the electrochemical performance of ET‐B‐COF, and the specific capacitance increased with the increase of the mass of carbon nanotubes added during the preparation process. Among them, ETB@CNT40 exhibits the best electrochemical performance (37.6 F g−1) at a current density of 1 A g−1. This study indicates that the simultaneous introduction of CNTs into COFs can significantly improve the electrochemical performance of ketoenamine‐linked COFs materials.
Elective Surgery Planning in Mobile Operating Theaters Under Uncertain Demand of Emergency Patients
Authors: Li Yongzhen , Li Zhaohui , Shu Jia , Zhang Minghui , Zhu Zhicheng
Published: December 2024

Mobile operating theaters (MOTs) emerged as a solution to cope with the serious shortage of medical resources in various European countries. In this paper, we study the multi‐MOT elective surgery planning problem. Each MOT consists of an operating room (OR) and a recovery room, that is, a post‐anesthesia care unit (PACU), with two beds, which can be used to perform surgeries and recovery care for both elective and emergency patients. The daily assignment of elective surgeries to MOTs is made in advance (e.g., a week ahead) in the face of uncertain demand of emergency patients. The problem is to determine the assignment of elective patients under uncertain surgery and recovery durations within a finite planning horizon, aiming to minimize total daily costs, which include the cost of assigning elective patients, the OR and PACU utilization cost, and the postponement cost of deferring any elective surgery to the next planning horizon. Due to the possible idle time between surgeries (recoveries, resp.) in the OR (PACU, resp.) and the possible OR blocking due to a limited PACU capacity, the daily OR and PACU utilization cost cannot be expressed in an analytical functional form directly in contrast to the existing literature on OR planning. In this paper, we simulate the surgery and recovery process in ORs and PACUs based on associated distributions, which are empirically verified by the literature, and fit the OR and PACU utilization costs as piece‐wise linear convex functions of the total surgery and recovery durations of the elective patients, respectively. We model the MOT planning problem as a set‐partitioning problem and solve it by column generation. We show that the pricing problem that arises from column generation is NP‐hard. By effectively characterizing the structural properties of the optimal solution to the continuous relaxation of the pricing problem, an efficient implementation of the branch‐and‐bound procedure can be applied to obtain the optimal integral solution to the pricing problem. This solution approach also extends to the case with general OR and PACU utilization cost functions. Computational experiments demonstrate that the proposed approach can solve moderate‐sized instances efficiently. Numerical results also show that, compared with the traditional OR planning model that (i) does not consider the daily PACU utilization cost and thereby ignores the possible blocking times between surgeries in ORs and (ii) neglects the possible idle times between surgeries in ORs caused by the random arrivals of emergency patients, our model results in a cost reduction of around 15.80% on average.
A Riemannian Rank‐Adaptive Method for Higher‐Order Tensor Completion in the Tensor‐Train Format
Authors: Vermeylen Charlotte , Van Barel Marc
Published: December 2024

A new Riemannian rank adaptive method (RRAM) is proposed for the low‐rank tensor completion problem (LRTCP). This problem is formulated as a least‐squares optimization problem on the algebraic variety of tensors of bounded tensor‐train (TT) rank. The RRAM iteratively optimizes over fixed‐rank smooth manifolds using a Riemannian conjugate gradient algorithm from Steinlechner. In between, the rank is increased by computing a descent direction selected in the tangent cone to the variety. A numerical method to estimate the rank increase is proposed. This numerical method is based on a new theoretical result for the low‐rank tensor approximation problem and a definition of an estimated TT‐rank. When the iterate comes close to a lower‐rank set, the RRAM decreases the rank based on the TT‐rounding algorithm from Oseledets and a definition of a numerical rank. It is shown that the TT‐rounding algorithm can be considered an approximate projection onto the lower‐rank set, which satisfies a certain angle condition to ensure that the image is sufficiently close to that of an exact projection. Several numerical experiments illustrate the use of the RRAM and its subroutines in Matlab. In all experiments, the proposed RRAM significantly outperforms the state‐of‐the‐art RRAM for tensor completion in the TT format from Steinlechner in terms of computation time.