bluuebunny/crossref_metadata_2025_split huggingface dataset:
Identification of highly potent 2,4‐diarylaminopyrimidine analogs of a typical piperidinyl‐4‐ol moiety as promising antitumor ALK inhibitors
Authors: Liu Shuyu , Wang Fuyi , Yang Juanjuan , Su Guangyue , Cao Zhi , Shan Mengya , Zhai Xin 
Published: September 2023

AbstractIn light of the cocrystal structure of ceritinib with anaplastic lymphoma kinase (ALK)WT protein, a series of novel 2,4‐diarylaminopyrimidine analogs (L1–L25) bearing a typical piperidinyl‐4‐ol moiety were designed and synthesized with improved biological and physicochemical properties. Satisfyingly, most compounds demonstrated moderate to excellent antitumor effects with IC50 values below 5 μM on ALK‐positive Karpas299 and H2228 cells. In particular, L6 bearing the 1‐(6‐methoxy‐pyridin‐2‐yl)‐4‐(morpholinomethyl)piperidinyl‐4‐ol moiety was detected as the optimal compound against ALK‐dependent cell lines of Karpas299 (0.017 μM) and H2228 cells (0.052 μM), in company with encouraging ALK enzyme inhibition (ALKWT, IC50 = 1.8 nM). In addition, L6 was also capable of inhibiting ALK‐resistant mutations, including ALKL1196M (3.9 nM) and ALKG1202R (5.2 nM). Remarkably, L6 typically repressed colony formation and migration of H2228 cells in a dose‐dependent manner. Meanwhile, acridine orange‐ethidium bromide staining analysis indicated that the proapoptotic effect of L6 was better than that of ceritinib at the same concentration (50 nM). Ultimately, the binding patterns of L6 to ALKWT and ALKG1202R were ideally established, which further confirmed the structural basis in accordance with the structure–activity relationship analysis.
Auditory evoked potentials in adolescents with autism: An investigation of brain development, intellectual impairment, and neural encoding
Authors: Schwartz Sophie , Wang Le , Uribe Sofia , Shinn‐Cunningham Barbara G. , Tager‐Flusberg Helen 
Published: September 2023

AbstractLimited research has evaluated neural encoding of sounds from a developmental perspective in individuals with autism (ASD), especially among those with intellectual disability. We compared auditory evoked potentials (AEPs) in autistic adolescents with a wide range of intellectual abilities (n = 40, NVIQ 30–160) to both age‐matched cognitively able neurotypical adolescent controls (NT‐A, n = 37) and younger neurotypical children (NT‐C, n = 27) to assess potential developmental delays. In addition to a classic measure of peak amplitude, we calculated a continuous measure of intra‐class correlation (ICC) between each adolescent participant's AEP and the age‐normative, average AEP waveforms calculated from NT‐C and NT‐A to study differences in signal morphology. We found that peak amplitudes of neural responses were significantly smaller in autistic adolescents compared to NT‐A. We also found that the AEP morphology of autistic adolescents looked more like NT‐A peers than NT‐C but was still significantly different from NT‐A AEP waveforms. Results suggest that AEPs of autistic adolescents present differently from NTs, regardless of age, and differences cannot be accounted for by developmental delay. Nonverbal intelligence significantly predicted how closely each adolescent's AEP resembled the age‐normed waveform. These results support an evolving theory that the degree of disruption in early neural responses to low‐level inputs is reflected in the severity of intellectual impairments in autism.
Characterizing subdomains of insistence on sameness in autistic youth
Authors: Spackman Emily , Smillie Luke D. , Frazier Thomas W. , Hardan Antonio Y. , Uljarević Mirko 
Published: September 2023

AbstractInsistence on sameness (IS) encompasses a range of behavioral patterns, including resistance to change, routines, and ritualized behaviors, that can be present across social and non‐social contexts. Given the breadth of behaviors encompassed by IS, it is important to determine whether this domain is best conceptualized and measured as uni‐ or a multi‐dimensional construct. Therefore, the current study aimed to characterize the structure of IS and explore potentially distinct of patterns of associations between identified IS factors and relevant correlates, including age, sex, IQ, anxiety, social abilities, emotional and behavioral dysregulation, and sensory hypersensitivity. Exploratory graph analysis was conducted using the dimensional assessment of restricted and repetitive behaviors to examine the structure of IS in a sample 1892 autistic youth (Mage = 10.82, SDage = 4.14; range: 3–18 years; 420 females) recruited from the Simons Foundation Powering Autism Research for Knowledge cohort. Three distinct IS subdomains labeled as IS‐Ritualistic/sameness, IS‐Routines, and IS‐Others (referring to IS behaviors during interactions with others) were identified. Generalized additive models demonstrated that each of the IS subdomains showed a unique pattern of association with key variables. More specifically, while sensory hypersensitivity was significantly associated with IS‐Ritualistic/sameness and IS‐Routines, it was not associated with IS‐Others. Further, while emotional dysregulation was a unique predictor of IS‐Ritualistic/sameness (but not IS‐Routines or IS‐Others), social interaction abilities were a unique predictor of IS‐Routines (but not IS‐Ritualistic/sameness or IS‐Others). Current findings provide preliminary evidence that the IS may encompass several distinct subdomains.
Epstein–Barr virus reactivation‐related meningoencephalitis with transverse myelitis in pregnancy
Authors: Nguyen Andrew Dang Khai , Siu Ronald , Kleinschmidt Grant , Sood Bimal Prakash , Shandiz Ehsan Esmaili 
Published: September 2023

Key Clinical MessageConsider the differential of Epstein–Barr virus (EBV) reactivation in pregnant women who develop progressive meningoencephalitis and transverse myelitis. EBV nucleic acid amplification should be considered in immunosuppressed patients.AbstractA 32‐year‐old G10P6M3K22 pregnant female presented to a regional hospital with progressive severe neurological and behavioral deficits. Magnetic resonance revealed cervical transverse myelitis. Lumbar puncture confirmed Epstein–Barr virus (EBV) DNA on a background of IgG‐positive EBV serology. A diagnosis of EBV reactivation‐related meningoencephalitis with transverse myelitis in pregnancy was concluded.
Hypertrophic obstructive cardiomyopathy with left ventricle outflow tract chordae insertion: Surgery or alcohol septal ablation? A case report
Authors: Hammami Rania , Kammoun Amine , Hassine Majed , Ellouze Tarek , Gargouri Rania , Abid Leila 
Published: September 2023

Key Clinical MessageAnomalous insertion of chordae is a rare disease that could be associated with hypertrophic obstructive cardiomyopathy (HOCM), but clinical and echocardiographic diagnoses tend to be delayed. Alcohol septal ablation has emerged as an alternative to surgical myomectomy in HOCM. When a patient showed an anomalous insertion of chordae, physicians generally opt for surgery and not alcohol septal ablation. In this report, we present the case of a lady, with symptomatic HOCM associated with a chord inserted on the left ventricular outflow tract. We succeeded to relieve obstruction by alcohol septal ablation without the need for surgery.
Molecules that Turn Themselves Inside‐Out: Tuning in/out Equilibria and Homeomorphic Isomerization in Macrobicyclic Dibridgehead Diphosphines P((CH2)n)3P Newly Accessible by Earth‐Abundant‐Metal Templates
Authors: Zarcone Samuel R. , Bhuvanesh Nattamai , Gladysz John A. 
Published: September 2023

AbstractPhotolyses of trans‐Fe(CO)3(P((CH2)n)3P) (n=10 (a), 12 (b), 14 (c), 16 (d), 18 (e)) in the presence of PMe3 provide the first economical and scalable route to macrobicyclic dibridgehead diphosphines P((CH2)n)3P (1). These are isolated as mixtures of in,in/out,out isomers that equilibrate with degenerate in,out/out,in isomers at 150 °C via pyramidal inversion at phosphorus. For the entire series, VT 31P NMR data establish or bound Keq, rates, and activation parameters for a variety of phenomena, many of which involve homeomorphic isomerizations, topological processes by which certain molecules can turn themselves inside out (e. g., in,in⇌out,out). This provides the first detailed mapping of such trends in homologous series of aliphatic bicyclic compounds XE((CH2)n)3EX with any type of bridgehead. Isomeric diborane adducts 1 a,d ⋅ 2BH3 are also characterized. Crystal structures of out,out‐1 a and in,in‐1 a ⋅ 2BH3 aid isomer assignments and reveal unusual cage conformations.
Palladium‐Catalyzed Regiodivergent C‐H Olefination of Imidazo[1,2a]pyridine Carboxamide and Unactivated Alkenes
Authors: Mohite Sachin Balaso , Mane Manoj V. , Bera Milan , Karpoormath Rajshekhar 
Published: September 2023

AbstractDespite remarkable successes in linear and branched vinyl (hetero) arene synthesis, regiodivergent C−H olefination with a single catalytic system has remained underdeveloped. Overcoming this limitation, a Pd/MPAA‐catalyzed regiodivergent C−H olefination of imidazo[1,2a] pyridine carboxamides with unactivated terminal alkenes to generate branched and linear olefinated products depending upon the electronic nature of alkenes is reported herein. Moreover, this protocol can be applied for C−H deuteriation of the corresponding heteroarenes with D2O as deuterium source. Preliminary experimental studies combined with computational investigations (DFT studies) suggest that regiodivergent olefination can be controlled by olefin insertion and β‐hydride elimination steps.
Analytical and preparative chiral supercritical fluid chromatography resolutions using crown ether‐derived column
Authors: Yue Lei , Miller Larry , Reilly John 
Published: September 2023

AbstractIn this study, crown ether‐derived column Crownpak® CR‐I (+) was evaluated under SFC conditions using 12 primary amines, and the chromatographic results were compared against eight immobilized polysaccharide‐based columns. Crownpak® CR‐I (+) achieved a significantly higher success rate. It was found that the addition of 5% water to the modifier dramatically improved the peak shape for chiral separation of primary amines on Crownpak® CR‐I (+). The first reported preparative SFC separations on Crownpak® CR‐I (+) are shown, offering a new approach for the preparative resolution of primary amines. The case studies demonstrate that Crownpak® CR‐I (+) is a very useful column in the chiral separation of challenging compounds that contain a primary amine group in the pharmaceutical industry.
Metallaphotoredox‐Catalyzed Three‐Component Couplings for Practical Synthesis of Ureas and Carbamates†
Authors: Koranteng Ernest , Shu Zhen‐Cao , Liu Yi‐Yin , Yang Qian , Shi Bin , Wu Qiang‐Xian , Tan Fen , Lu Liang‐Qiu , Xiao Wen‐Jing 
Published: September 2023

Comprehensive SummaryUreas are widely used in drugs, materials and catalysts because of their diamide structure, which can form strong hydrogen bonds. Therefore, it is of great scientific significance to develop efficient and green methods for the synthesis of urea compounds, especially unsymmetrical ureas. Here, we have disclosed novel and highly efficient three‐component coupling reactions of organic halides, sodium cyanate and amines enabled by nickel/photoredox dual catalysis for the preparation of unsymmetrical ureas. The reaction features simple and safe operations, broad substrate scopes, and product diversities. It allows the facile synthesis of N‐aryl/vinyl ureas from readily available, user‐friendly feedstocks under mild conditions (27 examples, 36%—98% yields). In addition, this method is further derived to alcohols as nucleophiles to synthesize a series of carbamates (15 examples, 40%—95% yields). The mechanism experiment shows that the isocyanate produced by the coupling of halide and sodium cyanate may be the key intermediate in this reaction.
High‐level ab initio evidence of bipyramidal Cu5 clusters as fluxional Jahn‐Teller molecules
Authors: Mitrushchenkov Alexander O. , de Lara‐Castells María Pilar 
Published: September 2023

AbstractThe front cover artwork is provided by María Pilar de Lara‐Castells, Head of the AbinitFot Group at IFF‐CSIC (Madrid), Coordinator of the National Project “COSYES”, and Chair of the COST Action CA21101 “COSY“, and Alexander O. Mitrushchenkov from the Université Paris‐Est. The image shows the connection between the Jahn‐Teller effect featured by bypiramidal Cu5 clusters and the property of fluxionality. Cover design by Katarzyna Krupka. Read the full text of the Research Article at 10.1002/cphc.202300317.
Surface Modification Driven Initial Coulombic Efficiency and Rate Performance Enhancement of Li1.2Mn0.54Ni0.13Co0.13O2 Cathode
Authors: Li Wanyun , Zhao Bangchuan , Bai Jin , Wang Peiyao , Mao Yunjie , Xiao Ke , Zhu Xuebin , Sun Yuping 
Published: September 2023

AbstractDue to its high energy density and low cost, Li‐rich Mn‐based layered oxides are considered potential cathode materials for next generation Li‐ion batteries. However, they still suffer from the serious obstacle of low initial Coulombic efficiency, which is detrimental to their practical application. Here, an efficient surface modification method via NH4H2PO4 assisted pyrolysis is performed to improve the Coulombic efficiency of Li1.2Mn0.54Ni0.13Co0.13O2, where appropriate oxygen vacancies, Li3PO4 and spinel phase are synchronously generated in the surface layer of LMR microspheres. Under the synergistic effect of the oxygen vacancies and spinel phase, the unavoidable oxygen release in the cycling process was effectively suppressed. Moreover, the induced Li3PO4 nanolayer could boost the lithium‐ion diffusion and mitigate the dissolution of transition metal ions, especially manganese ions, in the material. The optimally modified sample yielded an impressive initial Coulombic efficiency and outstanding rate performance.
Non‐coding RNAs in cancer immunotherapy: Predictive biomarkers and targets
Authors: Alahdal Murad , Elkord Eyad 
Published: September 2023

AbstractBackgroundTo date, standardising clinical predictive biomarkers for assessing the response to immunotherapy remains challenging due to variations in personal genetic signatures, tumour microenvironment complexities and epigenetic onco‐mechanisms.Main bodyEarly monitoring of key non‐coding RNA (ncRNA) biomarkers may help in predicting the clinical efficacy of cancer immunotherapy and come up with standard predictive ncRNA biomarkers. For instance, reduced miR‐125b‐5p level in the plasma of non‐small cell lung cancer patients treated with anti‐PD‐1 predicts a positive outcome. The level of miR‐153 in the plasma of colorectal cancer patients treated with chimeric antigen receptor T lymphocyte (CAR‐T) cell therapy may indicate the activation of T‐cell killing activity. miR‐148a‐3p and miR‐375 levels may forecast favourable responses to CAR‐T‐cell therapy in B‐cell acute lymphoblastic leukaemia. In cancer patients treated with the GPC3 peptide vaccine, serum levels of miR‐1228‐5p, miR‐193a‐5p and miR‐375‐3p were reported as predictive biomarkers of good response and improved overall survival. Therefore, there is a critical need for further studies to elaborate on the key ncRNA biomarkers that have the potential to predict early clinical responses to immunotherapy.ConclusionThis review summarises important predictive ncRNA biomarkers that were reported in cancer patients treated with different immunotherapeutic modalities, including monoclonal antibodies, small molecule inhibitors, cancer vaccines and CAR‐T cells. In addition, a concise discussion on forthcoming perspectives is provided, outlining technical approaches for the optimal utilisation of immunomodulatory ncRNA biomarkers as predictive tools and therapeutic targets.
Loss of αβ but not γδ T cells in chickens causes a severe phenotype
Authors: von Heyl Theresa , Klinger Romina , Aumann Dorothea , Zenner Christian , Alhussien Mohanned , Schlickenrieder Antonina , Lengyel Kamila , Vikkula Hanna‐Kaisa , Mittermair Teresa , Sid Hicham , Schusser Benjamin 
Published: September 2023

AbstractThe availability of genetically modified mice has facilitated the study of mammalian T cells. No model has yet been developed to study these cells in chickens, an important livestock species with a high availability of γδ T cells. To investigate the role of γδ and αβ T cell populations in birds, we generated chickens lacking these T cell populations. This was achieved by genomic deletion of the constant region of the T cell receptor γ or β chain, leading to a complete loss of either γδ or αβ T cells. Our results show that a deletion of αβ T cells but not γδ T cells resulted in a severe phenotype in KO chickens. The αβ T cell KO chickens exhibited granulomas associated with inflammation of the spleen and the proventriculus. Immunophenotyping of αβ T cell KO chickens revealed a significant increase in monocytes and expectedly the absence of CD4+ T cells including FoxP3+ regulatory T cells. Surprisingly there was no increase of γδ T cells. In addition, we observed a significant decrease in immunoglobulins, B lymphocytes, and changes in the bursa morphology. Our data reveal the consequences of T cell knockouts in chickens and provide new insights into their function in vertebrates.
Palladium‐Catalyzed Regioselective C−H Oxidative Arylation of 7‐Azaindazole N‐Oxide at the C6‐Position
Authors: Nassiri Sarah , Bousmina Mostapha , Suzenet Franck , Guillaumet Gérald , El Kazzouli Saïd 
Published: September 2023

AbstractA new strategy is reported for the C−H/C−H functionalization of 7‐azaindazoles at the C6‐position through a regioselective oxidative arylation using N‐oxide activation. This methodology allowed selective and original access to C6‐arylated 7‐azaindazoles with different substituted arenes and heteroarenes.
Grain size estimation in fluvial gravel bars using uncrewed aerial vehicles: A comparison between methods based on imagery and topography
Authors: Wong Tyler , Khanal Sami , Zhao Kaiguang , Lyon Steve W. 
Published: September 2023

AbstractGrain size assessments are necessary for understanding the various geomorphological, hydrological and ecological processes that occur within rivers. Recent research has shown that the application of Structure‐from‐Motion (SfM) photogrammetry to imagery from uncrewed aerial vehicles (UAVs) shows promise for rapidly characterising grain sizes along rivers in comparison to traditional field‐based methods. Here, we evaluated the applicability of different methods for estimating grain sizes in gravel bars along a study reach in the Olentangy River in Columbus, Ohio. We collected imagery of these gravel bars with a UAV and processed those images with SfM photogrammetry software to produce three‐dimensional point clouds and orthomosaics. Our evaluation compared statistical models calibrated on topographic roughness, which was computed from the point clouds, and to those based on image texture, which was computed from the orthomosaics. Our results showed that statistical models calibrated on image texture were more accurate than those based on topographic roughness. This might be because of site‐specific patterns of grain size, shape and imbrication. Such patterns would have complicated the detection of topographic signatures associated with individual grains. Our work illustrates that UAV‐SfM approaches show potential to be used as an accessible method for characterising surface grain sizes along rivers at higher spatial and temporal resolutions than those provided by traditional methods.
The characteristics of microwave‐treated insoluble and soluble dietary fibers from grape and their effects on bread quality
Authors: Baskaya‐Sezer Duygu 
Published: September 2023

AbstractThis study investigated the morphological and hydration properties of untreated and microwave (MW)‐treated isolate forms of soluble (SDF) and insoluble dietary fibers (IDF) obtained from grapes. Then, the rheological, textural, and other physical effects of the fibers (5% flour basis) were evaluated on bread quality. For this purpose, grape pomace was valorized as the juice extraction waste. MW significantly improved hydration properties of SDF and IDF by modifying their microstructures (p < .05). SDF had a clean‐cut morphology whereas IDF had an indented microstructure with a wrinkled surface. After MW treatment, deep grooves and holes were observed. These variations in the IDF structure were more extensive. DF additions influenced water absorption, mixing tolerance index, dough development time, dough stability, resistance to extension, extensibility, energy of the dough and hardness, cohesiveness, springiness, chewiness, weight loss, specific volume, crust color difference of the bread in comparison with the properties of control samples significantly (p < .05). IDF had especially pronounced effects on the dough and bread characteristics. SDF enrichment provided more comparable results with the control bread than IDF. The originality of this work is to characterize isolated (100% purity) SDFs and IDFs, then discuss their effects on semi (dough) and final (bread) product quality.
Australasian genetic counselors' attitudes toward disability and prenatal testing: Findings from a cross‐sectional survey
Authors: Yanes Tatiane , Nathan Vaishnavi , Wallingford Courtney , Faragher Rhonda , Nankervis Karen , Jacobs Chris , Vassos Maria , Boyle Fran , Carroll Annemaree , Smith Simon , McInerney‐Leo Aideen 
Published: September 2023

AbstractDiagnostic genetic testing and non‐invasive prenatal testing (NIPT) for conditions associated with disability are becoming increasingly available to consumers. This genetic information can be used in the disability setting to inform factors such as prognosis, management, and reproductive decision‐making. Genetic counselors (GCs) play an important role in the provision of genetic testing and NIPT, and their attitudes toward disability can influence how genetic information is communicated and shape patients' responses. This study aimed to evaluate and describe Australasian GCs' experience with and attitudes toward disabilities to identify potential biases and training needs. A cross‐sectional survey was distributed to 400 GCs registered with the Human Genetics Society of Australasia. Of the 106 respondents (participation rate: 26%), a significantly greater proportion were more comfortable interacting with individuals with physical disability as compared to intellectual disability (p < 0.001). GCs with personal experiences with disabilities reported significantly greater comfort interacting with people with intellectual disability than those without experience (p = 0.012). Qualitative analysis revealed discomfort was less reflective of bias than inexperience and apprehension about communicating disrespectfully. GCs believed people with disabilities experience discrimination and that having a disability could make a person stronger, wiser, and more motivated. Most GCs viewed prenatal testing for disabilities positively as it allowed for decisions regarding continuing the pregnancy and/or provided opportunity to prepare. Challenges identified for prenatal counseling included negative societal attitudes and the low visibility of disability. GCs felt that ‘personal beliefs’ was the primary factor influencing the decision to terminate a pregnancy affected by disability. These findings highlight important education and training needs for GCs to improve preparedness and comfort when communicating with people with a disability.