bluuebunny/crossref_metadata_2025_split huggingface dataset:
Conjugation Extension and Halochromic Behaviors of S‐Fused Polycyclic Aromatic Hydrocarbons Bearing Cyclopenta[b]thiopyran Moieties
Authors: Chen Weinan , Liu Si , Ren Yingjian , Xie Shoudong , Yan Chuan , Zhou Zhanglang , Zhou Gang 
Published: November 2022

AbstractThree S‐fused polycyclic aromatic hydrocarbons (PAHs) bearing cyclopenta[b]thiopyran moieties have been designed and successfully synthesized. With the conjugation extension, the absorption onset of the longest PAH reaches 1110 nm. All the three S‐fused PAHs exhibit significant halochromic properties in both solution and solid states. Upon protonation, the proton is incorporated on the cyclopentadiene ring while the positive charge is localized on the thiopyrylium ring. Moreover, no significant difference can be found for the two shorter PAHs upon the protonation by different organic acids, such as trifluoroacetic acid (TFA) and trifluoromethanesulfonic acid (TfOH), while the longest PAH can be only mono‐protonated by TFA but di‐protonated by stronger TfOH. Furthermore, after protonation, the non‐emissive S‐fused PAHs exhibit strong fluorescence and can be regenerated by simply neutralization with triethylamine. The enhanced emission of mono‐protonated products stem from S2→S0 transitions, which disobey the Kasha's rule.
Targeted inactivation of the Septin2 and Septin9 genes in myelinating Schwann cells of mice
Authors: Martens Ann‐Kristin , Erwig Michelle , Patzig Julia , Fledrich Robert , Füchtbauer Ernst‐Martin , Werner Hauke B. 
Published: November 2022

AbstractThe formation of axon‐enwrapping myelin sheaths by oligodendrocytes in the central nervous system involves the assembly of a scaffolding septin filament comprised of the subunits SEPTIN2, SEPTIN4, SEPTIN7 and SEPTIN8. Conversely, in the peripheral nervous system (PNS), myelin is synthesized by a different cell type termed Schwann cells, and it remained unknown if septins also assemble as a multimer in PNS myelin. According to prior proteome analysis, PNS myelin comprises the subunits SEPTIN2, SEPTIN7, SEPTIN8, SEPTIN9, and SEPTIN11, which localize to the paranodal and abaxonal myelin subcompartments. Here, we use the Cre/loxP‐system to delete the Septin9‐gene specifically in Schwann cells, causing a markedly reduced abundance of SEPTIN9 in sciatic nerves, implying that Schwann cells are the main cell type expressing SEPTIN9 in the nerve. However, Septin9‐deficiency in Schwann cells did not affect the abundance or localization of other septin subunits. In contrast, when deleting the Septin2‐gene in Schwann cells the abundance of all relevant septin subunits was markedly reduced, including SEPTIN9. Notably, we did not find evidence that deleting Septin2 or Septin9 in Schwann cells impairs myelin biogenesis, nerve conduction velocity or motor/sensory capabilities, at least at the assessed timepoints. Our data thus show that SEPTIN2 but not SEPTIN9 is required for the formation or stabilization of a septin multimer in PNS myelin in vivo; however, its functional relevance remains to be established.
Surface Modification of Bacteria to Optimize Immunomodulation for Advanced Immunotherapy
Authors: Xue Kaikai , Wang Lu , Liu Jinyao 
Published: November 2022

AbstractBacteria have been widely exploited as therapeutic agents for immunotherapy due to their native immunogenicity, living characteristic, and genetic manipulability. However, conventional bacteria‐based immunotherapy often suffers from dose‐dependent safety issues and poor treatment efficacy. Harnessing surface modification of bacteria to carry additional immune modulators has emerged as a promising strategy to reduce bacterial dose and synergistically enhance the activation of immune responses. In this paper, bacteria‐mediated immunomodulation and the underlying mechanisms are introduced, followed by a summarization on the concept of using surface‐modification approaches including physical encapsulation, chemical conjugation, and metabolic labelling to combine diverse immune functions. The applications of modified bacteria as therapeutics for immunotherapy toward cancer and inflammatory bowel disease have been expounded further. Both challenges and future perspectives regarding the utilization of surface‐modified bacteria for immunomodulation are also proposed. This work offers unique insights into developing safe yet potent bacteria‐based therapeutics for advanced immunotherapy.
Immune checkpoint inhibitor gastritis is often associated with concomitant enterocolitis, which impacts the clinical course
Authors: Haryal Aneesha , Townsend Matthew J. , Baskaran Vinitha , Srivoleti Padmavathi , Giobbie‐Hurder Anita , Sack Jordan S. , Isidro Raymond A. , LeBoeuf Nicole R. , Buchbinder Elizabeth I. , Hodi F. Stephen , Grover Shilpa 
Published: November 2022

AbstractBackgroundGastrointestinal immune‐related adverse events are frequently caused by immune checkpoint inhibitors (ICIs) and often require interruption of cancer treatment. Compared with ICI colitis and enteritis, limited information exists about ICI gastritis. This study characterized clinical features and treatment outcomes of ICI gastritis.MethodsConsecutive cancer patients who received ICIs and underwent endoscopy with gastric biopsies while on ICIs from 2011 to 2021 were retrospectively assessed. Specific histopathologic features identified ICI gastritis.ResultsOf 6450 ICI‐treated patients, 162 (2.5%) underwent endoscopy with gastric biopsies. ICI gastritis was identified in 54 (33%) biopsied patients; 38 (70%) had concurrent ICI enteritis/colitis and 16 (30%) had isolated ICI gastritis. Dyspepsia (38%) and bloating (25%) were the most frequent symptoms of isolated ICI gastritis. Compared with patients with concomitant enteritis/colitis, patients with isolated gastritis were less likely to have diarrhea (13% vs 68%; p < .001) or abdominal pain (19% vs 47%; p = .07). Patients with isolated ICI gastritis less frequently required glucocorticoids (69% vs 92%; p = .04) and had lower incidence of ICI hold/withdrawal (13% vs 42%; p = .06). There was no association between severity or extent of luminal inflammation and antitumor response (p = .85 and p = .44, respectively). Endoscopically, gastric mucosa appeared normal in 11 (20%) patients with biopsy‐proven ICI gastritis.ConclusionICI gastritis may present alone or more commonly with concurrent enteritis/colitis, which may differentiate its clinical course. Gastric biopsies are required to diagnose a substantial minority of endoscopically normal, clinically significant cases. Most patients with isolated gastritis can continue ICI therapy uninterrupted, but a notable proportion require glucocorticoids.Plain language summary

Immune checkpoint inhibitors are effective anticancer treatments, but can cause inflammatory toxicities, including of the stomach (gastritis), intestine, and colon. Limited information is available on gastritis triggered by these agents.

Adult patients with cancer who were treated with immune checkpoint inhibitors and had an upper gastrointestinal endoscopy with biopsies of the stomach were examined. More than two‐thirds (70%) of people with checkpoint inhibitor gastritis also had inflammatory changes of the small intestine and/or colon.

Compared with patients with isolated checkpoint gastritis, the subgroup with concomitant enteritis/colitis more frequently had abdominal pain, diarrhea, needed steroids, and/or needed to pause or stop antitumor therapy.
An intelligent medical image classification system using few‐shot learning
Authors: Abbas Qaisar 
Published: November 2022

SummaryDue to the wide range of diseases and imaging modalities, a retrieving system is a challenging task to access the corresponding clinical cases from a large medical repository on time. Several intelligent systems are developed to recognize medical images based on various machine learning algorithms such as deep learning and transfer learning methods that have outperformed compared to traditional methods. However, they are time‐consuming and required more labeled data for training the network models. To overcome these issues, an intelligence medical imaging recognition (IMR‐FSL) system is developed based on three phases of the few‐short learning (FSL) concept, which required few labeled examples to train the model and they are capable to generalize on huge and unseen medical datasets. To test and train the performance of the proposed IMR‐FSL system, many imaging modalities and multiclass datasets such as TCIA and Kvasir are utilized. Statistical analysis is also performed to measure the performance of the IMR‐FSL system. On average, the IMR‐FSL system achieved SE of 95%, SP of 96.5%, ACC of 97.5%, and AUC of 0.96 on both datasets. The performance of the IMR‐FSL system demonstrates the effectiveness of other state‐of‐the‐art systems.
First‐principles study of the magnetic exchange forces between the RuO2(110) surface and Fe tip
Authors: Liang Qiuhua , Brocks Geert , Bieberle‐Hütter Anja 
Published: November 2022

AbstractMagnetic exchange force microscopy (MExFM) is an important experimental technique for mapping the magnetic structure of surfaces with atomic resolution relying on the spin‐dependent short‐range exchange interaction between a magnetic tip and a magnetic surface. RuO2 is a significant compound with applications in heterogeneous catalysis and electrocatalysis. It has been characterized recently as an antiferromagnetic (AFM) material, and its magnetism has been predicted somewhat surprisingly to play an important role in its catalytic properties. In the current study, we explore theoretically whether MExFM can visualize the magnetic surface structure of RuO2. We use density functional theory (DFT) calculations to extract the exchange interactions between a ferromagnetic Fe tip interacting with an AFM RuO2(110) surface, as a function of tip‐surface distance and the position of the tip over the surface. Mimicking the MExFM experiment, these data are then used to calculate the normalized frequency shift of an oscillating cantilever tip versus the minimum tip‐surface distance, and construct corrugation height line profiles. It is found that the exchange interaction between tip and surface is strongest for a parallel configuration of the spins of the tip and of the surface; it is weakest for an anti‐parallel orientation. In a corrugation profile, this gives rise to a sizable height difference of 25 pm between the spin‐up and spin‐down Ru atoms in the RuO2(110) surface at a normalized frequency shift
=−10.12 fNm1/2. The O atoms in the surface are not or hardly visible in the corrugation profile.
Galvanostatic Fast Charging of Alkali‐Ion Battery Materials at the Single‐Particle Level: A Map‐Driven Diagnosis
Authors: Gavilán‐Arriazu E. Maximiliano , Barraco Daniel E. , Ein‐Eli Yair , Leiva Ezequiel P. M. 
Published: November 2022

AbstractIn this work, we develop a new tool to provide a diagnostic map for alkali‐ion intercalation materials under galvanostatic conditions. These representations, stated in the form of capacity level diagrams, are built from hundreds of numerical simulations representing different experimental conditions, summarized in two dimensionless parameters: a kinetic parameter denominated Ξ and a finite diffusion parameter l. To lay the theoretical and methodological foundations, a general model is used here. This model can be adapted to the thermodynamic and kinetic framework of specific systems. We provide two representative examples.
Effects of Heavy Iodine Atoms and π‐Expanded Conjugation on Charge Transfer Dynamics in Carboxylic Acid BODIPY Derivatives as Triplet Photosensitizers
Authors: Akhuseyin Yildiz Elif , Yabaş Ebru , Sözmen Fazlı , Bozkurt Yasemin , Karatay Ahmet , Boyacioglu Bahadir , Ünver Hüseyin , Elmali Ayhan 
Published: November 2022

AbstractBorondipyrromethene (BODIPY) chromophores are composed of a functional‐COOH group at meso position with or without a biphenyl ring, and their compounds with heavy iodine atoms at −2, −6 positions of the BODIPY indacene core were synthesized. The photophysical properties of the compounds were studied with steady‐state absorption and fluorescence measurements. It was observed that the absorption band is significantly red‐shifted, and fluorescence signals are quenched in the presence of iodine atoms. In addition to that, it was indicated that the biphenyl ring does not affect the spectral shifting in the absorption as well as fluorescence spectra. In an attempt to investigate the effect of π‐expanded biphenyl moieties and heavy iodine atoms on charge transfer dynamics, femtosecond transient absorption spectroscopy measurements were carried out in the environment of the tetrahydrofuran (THF) solution. Based on the performed ultrafast pump‐probe spectroscopy, BODIPY compounds with iodine atoms lead to intersystem crossing (ISC) and ISC rates were determined as 150 ps and 180 ps for iodine BODIPY compounds with and without π‐expanded biphenyl moieties, respectively. According to the theoretical results, the charge transfer in the investigated compounds mostly appears to be intrinsic local excitations, corresponding to high photoluminescence efficiency. These experimental findings are useful for the design and study of the fundamental photochemistry of organic triplet photosensitizers.
Evolution of Physical Properties of RE3Ni5Al19Family (RE = Y, Nd, Sm, Gd, Tb, Dy, Ho, and Er)
Authors: Ryżyńska Zuzanna , Marshall Madalynn , Xie Weiwei , Klimczuk Tomasz , Winiarski Michał J. 
Published: November 2022

AbstractSingle crystals of RE3Ni5Al19series (RE = Y, Nd, Sm, Gd, Tb, Dy, Ho, and Er) are grown using the Al self‐flux method. The crystal structure is examined by both single crystal and powder X‐ray diffraction. Physical properties are studied for the first time for RE3Ni5Al19(RE = Y, Nd, Gd, Tb, Dy, Ho, and Er) by means of magnetic susceptibility, electrical resistivity, and heat capacity measurements. Complex magnetic behaviors, with up to three transitions present for RE = Sm, Gd, Tb, and Dy, are revealed. Y3Ni5Al19is found to be a nonmagnetic nonsuperconducting metal (aboveT= 1.8 K) with weak electron–phonon coupling strength.
Harnessing a Continuous‐Flow Persulfuric Acid Generator for Direct Oxidative Aldehyde Esterifications
Authors: Nagy Bence S. , Fu Gang , Hone Christopher A. , Kappe C. Oliver , Ötvös Sándor B. 
Published: November 2022

AbstractPersulfuric acid is a well‐known oxidant in various industrial‐scale purification procedures. However, due to its tendency toward explosive decomposition, its usefulness in organic synthesis remained largely underexplored. Herein, a continuous in situ persulfuric acid generator was developed and applied for oxidative esterification of aldehydes under flow conditions. Sulfuric acid served as a readily available and benign precursor to form persulfuric acid in situ. By taking advantage of the continuous‐flow generator concept, safety hazards were significantly reduced, whilst a robust and effective approach was ensured for direct transformations of aldehydes to valuable esters. The process proved useful for the transformation of diverse aliphatic as well as aromatic aldehydes, while its preparative capability was verified by the multigram‐scale synthesis of a pharmaceutically relevant key intermediate. The present flow protocol demonstrates the safe, sustainable, and scalable application of persulfuric acid in a manner that would not be amenable to conventional batch processing.
Subjective cognitive decline in Brazil: Prevalence and association with dementia modifiable risk factors in a population‐based study
Authors: Borelli Wyllians Vendramini , Zimmer Eduardo R. , Bieger Andrei , Coelho Bruna , Pascoal Tharick A. , Chaves Márcia Lorena Fagundes , Amariglio Rebecca , Castilhos Raphael Machado 
Published: November 2022

AbstractIntroductionSubjective cognitive decline (SCD) may be an early symptom of Alzheimer's disease. We aimed to estimate the prevalence of SCD in Brazil and its association with dementia modifiable risk factors.MethodsWe used data of 8138 participants from the Brazilian Longitudinal Study of Aging (ELSI‐Brazil), a population‐based study that included clinical and demographic variables of individuals across the country. We calculated the prevalence of SCD and its association with dementia modifiable risk factors.ResultsWe found that the prevalence of SCD in Brazil was 29.21% (28.22%–30.21%), varying according to region, sex, and age. SCD was strongly associated with hearing loss, low education, psychological distress, Brown/Pardo and Black races.DiscussionThe prevalence of SCD in Brazil is higher than in high‐income countries. Brown/Black races and dementia modifiable risk factors were associated with SCD. Public strategies that target SCD may help mitigate the incidence of dementia.
Multicomponent integrated care for patients with chronic heart failure: systematic review and meta‐analysis
Authors: Yang Ya‐Feng , Hoo Jia‐Xin , Tan Jia‐Yin , Lim Lee‐Ling 
Published: November 2022

AbstractTo investigate the effectiveness of multicomponent integrated care on clinical outcomes among patients with chronic heart failure. We conducted a meta‐analysis of randomized clinical trials, published in English language from inception to 20 April 2022, with at least 3‐month implementation of multicomponent integrated care (defined as two or more quality improvement strategies from different domains, viz. the healthcare system, healthcare providers, and patients). The study outcomes were mortality (all‐cause or cardiovascular) and healthcare utilization (hospital readmission or emergency department visits). We pooled the risk ratio (RR) using Mantel–Haenszel test. A total of 105 trials (n = 37 607 patients with chronic heart failure; mean age 67.9 ± 7.3 years; median duration of intervention 12 months [interquartile range 6–12 months]) were analysed. Compared with usual care, multicomponent integrated care was associated with reduced risk for all‐cause mortality [RR 0.90, 95% confidence interval (CI) 0.86–0.95], cardiovascular mortality (RR 0.73, 95% CI 0.60–0.88), all‐cause hospital readmission (RR 0.95, 95% CI 0.91–1.00), heart failure‐related hospital readmission (RR 0.84, 95% CI 0.79–0.89), and all‐cause emergency department visits (RR 0.91, 95% CI 0.84–0.98). Heart failure‐related mortality (RR 0.94, 95% CI 0.74–1.18) and cardiovascular‐related hospital readmission (RR 0.90, 95% CI 0.79–1.03) were not significant. The top three quality improvement strategies for all‐cause mortality were promotion of self‐management (RR 0.86, 95% CI 0.79–0.93), facilitated patient–provider communication (RR 0.87, 95% CI 0.81–0.93), and e‐health (RR 0.88, 95% CI 0.81–0.96). Multicomponent integrated care reduced risks for mortality (all‐cause and cardiovascular related), hospital readmission (all‐cause and heart failure related), and all‐cause emergency department visits among patients with chronic heart failure.
Synthesis, Structures, and Thermal Stability of Dialkyl and Bis(amido) Zirconium(IV) Acen Complexes
Authors: Al Hareri Majeda , Emslie David J. H. 
Published: November 2022

AbstractReaction of one equivalent of H2(acen), H2(cis‐Cyacen) or H2(trans‐Cyacen) with [Zr(CH2SiMe3)4] at room temperature afforded [Zr(acen)(CH2SiMe3)2] (1), [Zr(cis‐Cyacen)(CH2SiMe3)2] (2) or [Zr(trans‐Cyacen)(CH2SiMe3)2] (3), respectively (acen=C2H4(NCMeCHC(O)Me)2; Cyacen=1,2‐C6H10(NCMeCHC(O)Me)2). These alkyl compounds are trigonal prismatic in the solid state, and whereas 1 and 3 decomposed without sublimation above 120 °C (5–10 mTorr), 2 sublimed in >95 % yield at 85 °C (5–10 mTorr). However, heating solid 2 at 88 °C under static argon for 24 hours resulted in extensive decomposition to afford H2(cis‐Cyacen) and SiMe4 as the soluble products. Compound 2 reacted cleanly with two equivalents of tBuOH to afford [Zr(cis‐Cyacen)(OtBu)2] (4), but excess tBuOH caused both SiMe4 and H2(cis‐Cyacen) elimination. The 1 : 1 reaction of H2(acen) with [Zr(NMeEt)4] did not proceed cleanly, and 8‐coordinate [Zr(acen)2] (5) was identified as a by‐product; this complex was isolated from the 2 : 1 reaction. A zirconium amido complex, [Zr(acen)(NMeEt)2] (6) was accessed via the reaction of 1 with two equiv. or excess HNMeEt, but decomposed readily in solution at room temperature. More sterically hindered [Zr(acen){N(SiMe3)2}2] (7) was synthesized via the reaction of [Zr(acen)Cl2] with two equivalents of Li{N(SiMe3)2}, but was also thermally unstable as a solid and in solution at room temperature. Compounds 1–3, 5 and 7 were crystallographically characterized.
Microencapsulation of Chia Seed Oil by Spray‐Drying: Influence of the Antioxidant Addition
Authors: Ixtaina Vanesa Y. , Hoffman Elizabeth , Copado Claudia N. , Diehl Bernd W. K. , Tomás Mabel C. 
Published: November 2022

AbstractChia seed oil has a high content of polyunsaturated fatty acids, giving it nutritionally beneficial qualities, although determining its high susceptibility to oxidative deterioration. Microencapsulation and natural antioxidants are alternatives to protect this oil during its processing and storage. This work aims to study the physicochemical characteristics and the oxidative stability of chia seed oil microencapsulated with different antioxidants (rosemary extract, blend of rosemary and chamomile extracts, ascorbyl palmitate) by spray‐drying using sodium caseinate and lactose as wall material. The microencapsulation efficiency and the moisture content are >97% and <3% d.b., respectively. Scanning electron microscopy shows that the microcapsules are spherical, with diameters ranging between 11.3 and 14.8 µm. At t = 0, the microencapsulated oil recorded a ti = 12.7 h, seven times greater than that of the bulk‐oil. The addition of the antioxidants increases the ti of the microencapsulated oil. The addition of ascorbyl palmitate maintains the peroxide value under the acceptable limit after 60 d of storage (25 °C, darkness, HR 33%). Thus, microencapsulation by spray drying of chia oil with ascorbyl palmitate addition will be the most appropriate studied system to obtain microparticles with high efficiency and oxidative stability during the processing and storage.Practical Application: This study contributes to investigating the microencapsulation of omega‐3 fatty acids n‐3 fatty acids (FAs) from a novel oilseed (chia oil), applying different antioxidants, including those from vegetable sources such as rosemary and chamomile extracts, to confer additional protection to microencapsulated oil. Thus, the application of these techniques will enable the delivery of this vegetable oil for the development of functional foods.
Iodine(III)‐Mediated Free‐Aniline Iodination through Acetyl Hypoiodite Formation: Study of the Reaction Pathway
Authors: Mali Narendra , Ibarra‐Gutiérrez Jaime G. , Lugo Fuentes Leonardo I. , Ortíz‐Alvarado Rafael , Chacón‐García Luis , Navarro‐Santos Pedro , Jiménez‐Halla J. Oscar C. , Solorio‐Alvarado César R. 
Published: November 2022

AbstractThe first iodine(III)‐mediatedpara‐selective iodination protocol for free anilines as well as the mechanistic elucidation of the reaction pathway is described. The developed method proceeded under clean, non‐toxic, efficient, and in general mild reaction conditions. To the best of our knowledge this report describes for the first time a procedure focused specifically on the introduction of an iodine atom in free anilines using PIDA [(diacetoxyiodo)benzene] and ammonium iodide which formed in situ acetyl hypoiodite (AcO‐I) as the halogenating species. Our DFT calculations suggest a reaction mechanism that highlights the catalytic role of the ammonium cation in the AcO‐Iformation and halogenation. Considering there are few procedures for the iodine atom introduction in anilines using non‐acidic conditions, herein we described an initial report on a mild and operationally simple alternative using iodine(III) reagents.