bluuebunny/crossref_metadata_2025_split huggingface dataset:
Radiolabelled 177Lu‐Bispidine‐Trastuzumab for Targeting Human Epidermal Growth Factor Receptor 2 Positive Cancers
Authors: Cieslik Patrick A. , Klingler Simon , Nolff Mirja , Holland Jason P. 
Published: December 2023

AbstractRadioimmunotherapy (RIT) is a promising alternative to conventional treatment options. Here, we present experimental work on the synthesis, radiochemistry, and in vivo performance of a lanthanoid‐selective nonadentate bispidine ligand suitable for 177Lu3+ ion complexation. The ligand (bisp,1) was derivatised with a photoactivatable aryl azide (ArN3) group as a bioconjugation handle for light‐induced labelling of proteins. Quantitative radiosynthesis of [177Lu]Lu‐1+ was accomplished in 10 minutes at 40 °C. Subsequent incubation of [177Lu]Lu‐1+ with trastuzumab, followed by irradiation with light at 365 nm for 15 min, at room temperature and pH 8.0–8.3, gave the radiolabelled mAb, [177Lu]Lu‐1‐azepin‐trastuzumab ([177Lu]Lu‐1‐mAb) in a decay‐corrected radiochemical yield of 14 %, and radiochemical purity (RCP)>90 %. Stability studies and cellular binding assays in vitro using the SK‐OV‐3 human ovarian cancer cells confirmed that [177Lu]Lu‐1‐mAb remained biological active and displayed specific binding to HER2/neu. Experiments in immunocompromised female athymic nude mice bearing subcutaneous xenograft models of SK‐OV‐3 tumours revealed significantly higher tumour uptake in the normal group compared with the control block group (29.8±11.4 %ID g−1 vs. 14.8±6.1 %ID g−1, respectively; P‐value=0.037). The data indicate that bispidine‐based ligand systems are suitable starting points for constructing novel, high‐denticity chelators for specific complexation of larger radiotheranostic metal ion nuclides.
Creating Efficient Red Thermally Activated Delayed Fluorescence Materials with Cyano‐Substituted 11,12‐Diphenyldipyrido[3,2‐a:2′,3′‐c]phenazine Acceptors
Authors: Bai Zhentao , Wang Jianghui , Zou Peng , Jiang Ruming , Yang Dezhi , Ma Dongge , Tang Ben Zhong , Zhao Zujin 
Published: December 2023

AbstractRed luminescent materials are essential components for full color display and white lightening based on organic light‐emitting diode (OLED) technology, but the extension of emission color towards red or deep red region generally leads to decreased photoluminescence and electroluminescence efficiencies. Herein, we wish to report two new luminescent molecules (2CNDPBPPr‐TPA and 4CNDPBPPr‐TPA) consisting of cyano‐substituted 11,12‐diphenyldipyrido[3,2‐a:2′,3′‐c]phenazine acceptors and triphenylamine donors. As the increase of cyano substituents, the emission wavelength is greatly red‐shifted and the reverse intersystem crossing process is promoted, resulting in strong red delayed fluorescence. Meanwhile, due to the formation of intramolecular hydrogen bonds, the molecular structures become rigidified and planarized, which brings about large horizontal dipole ratios. As a result, 2CNDPBPPr‐TPA and 4CNDPBPPr‐TPA can perform as emitters efficiently in OLEDs, furnishing excellent external quantum efficiencies of 28.8 % at 616 nm and 20.2 % at 648 nm, which are significantly improved in comparison with that of the control molecule without cyano substituents. The findings in this work demonstrate that the introduction of cyano substituents to the acceptors of delayed fluorescence molecules could be a facile and effective approach to explore high‐efficiency red or deep red delayed fluorescence materials.
Safety‐Lösungen für die Prozesstechnik
Authors: Gregorius Carsten , Ungermann Manuel 
Published: December 2023

AbstractWenn es um die Einsatz‐ und Umgebungsbedingungen geht, sind bei der Umsetzung sicherheitsgerichteter Automatisierungslösungen in der Prozess‐ oder Verfahrenstechnik die Herausforderungen anspruchsvoller. Mit der Produktfamilie PSRmodular XC und den Profisafe‐Modulen der Baureihe AXL F XC lassen sich die Aufgabenstellungen an die funktionale Sicherheit zuverlässig lösen.
Additiv gefertigte Halbzeuge im Kommen
Authors: Kuhn Gunther , Graf Gregor 
Published: December 2023

AbstractDer 3D‐Druck ergänzt die Lieferkette und erleichtert die Ersatzteilbevorratung ‐ erfordert allerdings auch langjähriges Expertenwissen. Rosswag Engineering hat jetzt als erster Dienstleister Deutschlands auch ein TüV SüD‐Zertifikat für die additive Fertigung von Halbzeugen erhalten. Das bringt Rechtssicherheit für Betreiber durch die Konformität mit der Druckgeräterichtlinie.
Sarcocinerenoids A—J, Eight Rare Capnosane‐Type and Two New Cage‐Type Cembranoids with Promoting Angiogenesis Activity from the South China Sea Soft Coral Sarcophyton cinereum
Authors: Mi Yue , Yang Yanan , Tang Xuli , Han Xiao , Li Guoqiang 
Published: December 2023

Comprehensive SummaryEight rare capnosane‐type cembranoids, sarcocinerenoids A—H (1—8) and two new cage‐type cembranoids sarcocinerenoids I—J (9—10) were isolated from the soft coral Sarcophyton cinereum. The 5/11 bicyclic carbon skeleton is the same in Sarcocinerenoids A—H (1—8), and they collocate distinctive oxygen rings. Sarcocinerenoids I—J (9—10) with a cage‐type structure have been discovered to have an oxygen bridge and an uncommon seven‐membered ring. Extensive spectroscopic investigation, X‐ray diffraction analysis, estimated ECD, and DP4+ probability assessments were used to ascertain the structures of the two types of diterpenoids. Moreover, compounds 1, 4 showed promoting angiogenesis activity in zebrafish assays.
Low‐Cost Spectrophotometry with the BrickPhotometer – Possibilities and Limitations of the Smartphone as a Detector
Authors: Edelsbacher Philipp , Monkowius Uwe 
Published: December 2023

AbstractDer Artikel stellt ein günstiges Spektralphotometer (BrickPhotometer) vor, das für den Einsatz im Chemieunterricht der Sekundarstufe konzipiert ist. Es besteht aus einem Gehäuse aus Klemmbausteinen, einem Transmissionsgitter und als Detektor fungiert ein Smartphone. Gemessen wird, indem Digitalbilder von Spektren sichtbaren Lichts aufgenommen und Grau‐Werte als Größe für die Lichtintensität ausgelesen werden. Dadurch können Absorptionsspektren erstellt und Farbstofflösungen durch Absorptions‐ und Fluoreszenzmessungen quantifiziert werden. Limitationen ergeben sich aus der Berechnung der Grau‐Werte. Deren Wert ist abhängig von der Farbe und ohne zusätzliche Kalibrierung ungeeignet für die Bestimmung absoluter Lichtintensitäten. Dennoch können die Spektren qualitativ und quantitativ ausgewertet werden, wodurch komplexe Messmethoden veranschaulicht werden.
Cucurbit[6]uril Hyperpolarized Chemical Exchange Saturation Transfer Pulse Sequence Parameter Optimization and Detectability Limit Assessment at 3.0T
Authors: Grynko Vira , Shepelytskyi Yurii , Batarchuk Viktoriia , Aalto Hannah , Li Tao , Ruset Iulian C. , DeBoef Brenton , Albert Mitchell S. 
Published: December 2023

AbstractThe front cover artwork is provided by Prof. Mitchell S. Albert's group at Lakehead University. The image shows the hyperpolarized chemical exchange saturation transfer (HyperCEST) effect in cucurbit[6]uril molecular biosensors within a blood vessel. Read the full text of the Research Article at 10.1002/cphc.202300346.
Theoretical Insights into Bifurcated Intramolecular Dihydrogen Bonds
Authors: Gholami Samira , Aarabi Mohammad , Grabowski Sławomir J. 
Published: December 2023

AbstractTwo‐ring intramolecular π‐electron delocalization assisted dihydrogen bonds existing in (1Z,4Z)‐1,4‐dipentene‐3‐bora‐1,5‐diol and its symmetrically substituted derivatives have been analysed here since the MP2/6‐311++G(d,p) calculations on these systems were performed. The influence of the coexistence of two intramolecular dihydrogen bonded rings in these molecular structures on properties of intramolecular dihydrogen bonds as well as on the π‐electron delocalization within these rings was investigated. The comparison with corresponding structures of typical two‐ring, so‐called resonance‐assisted, RAHB, systems was performed. The results of calculations show that such rings′ coexistence leads to the weakening of dihydrogen bonds, similarly as for the typical two‐ring RAHB systems. The Quantum Theory of ‘‘Atoms in Molecules’’ (QTAIM) was also applied here to get more details about the nature of dihydrogen bonds. Correlations between dihydrogen bond strength measures and other energetic, geometrical and topological parameters were also analysed. It was found that characteristics of bond critical points as well as of ring critical points are useful to estimate the strength of intramolecular dihydrogen bonds in two‐ring dihydrogen bonded systems discussed here. The Natural Bond Orbital, NBO, approach parameters are also discussed as useful ones to describe properties of dihydrogen bonded systems.
Nature and Redox Properties of Iron Sites in Zeolites Revealed by Mössbauer Spectroscopy
Authors: Kornas Agnieszka , Mlekodaj Kinga , Tabor Edyta 
Published: December 2023

AbstractIron‐containing zeolite‐based catalysts play a pivotal role in environmental processes aimed at mitigating the release of harmful greenhouse gases, such as nitrous oxide (N2O) and methane (CH4). Despite the rich iron chemistry in zeolites, only a fraction of iron species that exhibit an open coordination sphere and possess the ability for electron transfer are responsible for activating reagents. In addition, the splitting of molecular oxygen is facilitated by bare iron cations embedded in zeolitic matrices. Mössbauer spectroscopy is the ideal tool for investigating the valency and geometry of iron species in zeolites because it leaves no iron forms silent and provides insights into in‐situ processes. This review is dedicated to the utilization of Mössbauer spectroscopy to elucidate the nature of the extra‐framework iron centers in ferrierite (FER), beta‐structured (*BEA), and ZSM‐5 zeolite (MFI) zeolites, which are active in N2O decomposition and CH4 oxidation through using the active oxygen derived from N2O and O2. In this work, a structured summary of the Mössbauer parameters established over the last two decades is presented, characterizing the specific iron active centers and intermediates formed upon iron's interaction with N2O/O2 and CH4. Additionally, the impact of preparation methods, iron loading, and the long‐term stability on iron speciation and its redox behavior under reaction conditions is discussed.
Dynamic and static predictive modelling of psychotherapy outcome—Comparison of two statistical approaches
Authors: Cardace Fabio , Wester Robin , Lutz Wolfgang , Rubel Julian A. 
Published: December 2023

AbstractObjectiveImproving prediction abilities in the therapy process can increase therapeutic success for a variety of reasons, such as more personalised treatment or resource optimisation. The increasingly applied methods of dynamic prediction seem to be very promising for this purpose. Prediction models are usually based on static approaches of frequentist statistics. However, the application of this statistical approach has been widely criticised in this research area. Bayesian statistics has been proposed in the literature as an alternative, especially for the task of dynamic modelling. In this study, we compare the performance of predicting therapy outcome over the course of therapy between both statistical approaches.MethodBased on a sample of 341 patients, a logistic regression analysis was performed using both statistical approaches. Therapy success was conceptualised as reliable pre–post improvement in brief symptom inventory (BSI) scores. As predictors, we used the subscales of the Outcome Questionnaire (OQ‐30) and the Helping Alliance Questionnaire (HAQ) measured every fifth session, as well as baseline BSI scores.ResultsThe influence of the predictors during therapy differs between the frequentist and the Bayesian approach. In contrast, predictive validity is comparable with a mean area under the curve (AUC) of 0.76 in both model types.ConclusionBayesian statistic provides an innovative and useful alternative to the frequentist approach in predicting therapy outcome. The theoretical foundation is particularly well suited for dynamic prediction. Nevertheless, no differences in predictive validity were found in this study. More complex methodology as well as further research seems necessary to exploit the potential of Bayesian statistics in this area.
Photo‐Induced Radicals in Carbon Nitride and their Magnetic Signature
Authors: Actis Arianna , Fornasiero Paolo , Chiesa Mario , Salvadori Enrico 
Published: December 2023

AbstractAs a metal‐free semiconductor, carbon nitride is a promising material for sustainable photocatalysis. From the large number of studies, it seems apparent that the photocatalytic activity is related to the number and type of defects present in the structure. Many defects are paramagnetic and photoresponsive and, for these reasons, Electron Paramagnetic Resonance (EPR) spectroscopy is a powerful method to derive fundamental information on the structure – local, extended and electronic – of such defects which in turn impact the optical, magnetic and chemical properties of a material. This review aims at critically discussing the interpretation of EPR data of native and photoinduced radical defects in carbon nitride research highlighting strengths and limitations of this spectroscopic technique.
Effective Light‐Induced Fluorescent H‐Aggregation of Fluorinated Pyridyl‐Azo Dye via Photoisomerization
Authors: Modi Jitendra , Patel Samridhi , Mahato Gopal Kumar , Mahto Birkishore , Chandra Girish 
Published: December 2023

AbstractHere we present the synthesis of a new fluorinated pyridyl‐azo dye and demonstrate an effective way to convert monomer fluorinated pyridyl‐azo dye to H‐aggregated form through UV‐light induced trans‐cis‐trans photoisomerization. And upto a 12 : 88 ratio between monomer : aggregation was achieved through a small pulse of UV irradiation. The H‐aggregation shows a unique high extinction co‐efficient in UV‐visible absorbance and unexpected fluorescence emission with a remarkably large Stokes shift. The solvent DMF and fluorine substituent were found to have a critical role in aggregation. 1H, 19F NMR, and 19F‐DOSY NMR experiments were used to confirm the aggregation and also confirm the absence of π‐π stacking.
European Society of Cardiology Core Curriculum for cardio‐oncology
Authors: López‐Fernández Teresa , Farmakis Dimitrios , Ameri Pietro , Asteggiano Riccardo , de Azambuja Evandro , Aznar Marianne , Barac Ana , Bayes‐Genis Antoni , Bax Jeroen J. , Bergler‐Klein Jutta , Boriani Giuseppe , Celutkiene Jelena , Coats Andrew , Cohen‐Solal Alain , Córdoba Raúl , Cosyns Bernard , Filippatos Gerasimos , Fox Kevin , Gulati Geeta , Inciardi Riccardo M. , Lee Geraldine , Mamas Mamas A. , Novo Giuseppina , Plummer Chris , Psyrri Amanda , Rakisheva Amina , Suter Thomas , Tini Giacomo , Tocchetti Carlo Gabriele , Toutouzas Konstantinos , Wilhelm Matthias , Metra Marco , Lyon Alexander R. , Rosano Giuseppe M.C. 
Published: December 2023

AbstractCardio‐oncology is a rapidly growing field of cardiovascular (CV) medicine that has resulted from the continuously increasing clinical demand for specialized CV evaluation, prevention and management of patients suffering or surviving from malignant diseases. Dealing with CV disease in patients with cancer requires special knowledge beyond that included in the general core curriculum for cardiology. Therefore, the European Society of Cardiology (ESC) has developed a special core curriculum for cardio‐oncology, a consensus document that defines the level of experience and knowledge required for cardiologists in this particular field. It is structured into 8 chapters, including (i) principles of cancer biology and therapy; (ii) forms and definitions of cancer therapy‐related cardiovascular toxicity (CTR‐CVT); (iii) risk stratification, prevention and monitoring protocols for CTR‐CVT; (iv) diagnosis and management of CV disease in patients with cancer; (v) long‐term survivorship programmes and cardio‐oncology rehabilitation; (vi) multidisciplinary team management of special populations; (vii) organization of cardio‐oncology services; (viii) research in cardio‐oncology. The core curriculum aims at promoting standardization and harmonization of training and evaluation in cardio‐oncology, while it further provides the ground for an ESC certification programme designed to recognize the competencies of certified specialists.
Biatrial myopathy in heart failure with preserved ejection fraction
Authors: Omote Kazunori , Sorimachi Hidemi , Obokata Masaru , Verbrugge Frederik H. , Omar Massar , Popovic Dejana , Reddy Yogesh N.V. , Pislaru Sorin V. , Pellikka Patricia A. , Borlaug Barry A. 
Published: December 2023

ABSTRACTAimLeft atrial (LA) myopathy is increasingly recognized as an important phenotypic trait in heart failure (HF) with preserved ejection fraction (HFpEF). Right atrial (RA) remodelling and dysfunction also develop in HFpEF, but little data are available regarding the clinical characteristics and pathophysiology among patients with isolated LA, RA, or biatrial myopathy.Methods and resultsPatients with HFpEF underwent invasive haemodynamic exercise testing, comprehensive imaging including speckle tracking strain echocardiography, and clinical follow‐up at Mayo Clinic between 2006 and 2018. LA myopathy was defined as LA volume index >34 ml/m2 and/or LA reservoir strain ≤24% and RA myopathy by RA volume index >39 ml/m2 in men and >33 ml/m2 in women and/or RA reservoir strain ≤19.8%. Of 476 consecutively evaluated patients with HFpEF defined by invasive exercise testing with evaluable atrial structure/function, 125 (26%) had no atrial myopathy, 147 (31%) had isolated LA myopathy, 184 (39%) had biatrial myopathy, and 20 (4%) had isolated RA myopathy. Patients with HFpEF and biatrial myopathy had more atrial fibrillation, poorer left ventricular systolic and diastolic function, more severe pulmonary vascular disease, tricuspid regurgitation, ventricular interdependence and right ventricular dysfunction, and poorer cardiac output reserve with exercise. There were 94 patients with events over a median follow‐up of 2.9 (interquartile range 1.4–4.6) years. Individuals with biatrial myopathy had an 84% higher risk of HF hospitalization or death as compared to those with isolated LA myopathy (hazard ratio 1.84; 95% confidence interval 1.16–2.92, p = 0.01).ConclusionsBiatrial myopathy identifies patients with more advanced HFpEF characterized by more severe pulmonary vascular disease, right HF, poorer cardiac reserve, and a greater risk for adverse outcomes. Further study is required to define optimal strategies to treat and prevent biatrial myopathy in HFpEF.
Sociodemographic disparities and potential biases in persistent pain estimates: Findings from 5 waves of the Irish Longitudinal Study on Ageing (TILDA)
Authors: Ryan E. , Hannigan A. , Grol‐Prokopczyk H. , May P. , Purtill H. 
Published: December 2023

AbstractBackgroundPain is a prevalent, debilitating condition among older adults. Much evidence on this topic comes from cohort studies, which may be affected by attrition and measurement bias. Little is known about the impact of these biases on pain estimates for European older adults. Additionally, there is a lack of longitudinal research on pain and sociodemographic disparities in Irish older adults.MethodsWe analysed data from 8171 participants (aged ≥50 at baseline) across five waves of the Irish Longitudinal Study on Ageing. Longitudinal pain severity and sociodemographic disparities in pain were explored visually and using a latent growth curve model. Using multivariate logistic regression, we examined bias due to attrition at later waves associated with reported pain at Wave 1. Measurement biases due to reporting heterogeneity were assessed by investigating associations between sociodemographic factors and pain‐related disability for given pain levels.ResultsWave 1 severe pain was associated with increased odds of attrition due to death by Wave 5 (AOR: 1.63, 95% CI: 1.20, 2.19). Not having private health insurance was associated with increased odds of pain‐related disability at Wave 1, controlling for pain severity (AOR: 1.37, 95% CI: 1.15, 1.64). These results suggested mortality bias and reporting heterogeneity measurement bias, respectively. Sex, education level, and private health insurance status disparities in pain were observed longitudinally.ConclusionsMortality bias and reporting heterogeneity measurement bias must be accounted for to improve older adult pain estimates. There is a need for policymakers to address sociodemographic disparities in older adult pain levels.SignificanceThis study highlights a need to address bias in the estimation of pain in observational studies of older adults. Understanding the sources and extent of these biases is important so that health practices and policies to address pain disparities can be guided by accurate estimates. Women, those with lower educational attainment, and those without private health insurance were found to have the highest pain burden longitudinally, suggesting a need for targeted interventions for these groups in Ireland and internationally.
Effect of addition of pullulan on the properties of native/waxy corn starch‐based films
Authors: Cheng Hao , Chen Long , Zhang Zipei , Zhang Ruojie , McClements David Julian , Xu Hao , Xu Zhenlin , Meng Man , Jin Zhengyu 
Published: December 2023

AbstractThis article reports on the preparation of native/waxy corn starch (NCS/WCS)‐based films with the addition of pullulan (PUL). Our study investigated the effects of varying amounts of PUL and amylose contents on the structure, mechanical and physicochemical properties of corn starch films. Notably, it was observed that WCS films with low amylose content exhibited superior transparency, while NCS films with high amylose content demonstrated enhanced tensile strength (up to 7.35 ± 0.18 MPa). Fourier transform infrared spectroscopy (FTIR) analysis indicated that the addition of PUL did not change the molecular interactions within the corn starch films. The X‐ray diffraction (XRD) results supported that the WCS films were amorphous, while the NCS film exhibited B‐type and V‐type crystals. Moreover, an increase in PUL content led to a gradual reduction in the crystallinity of both WCS films and NCS films. The addition of PUL improved the mechanical properties and oxygen barrier characteristics of these films but had an adverse impact on their water vapor barrier properties. These findings offer valuable insights for the selection of additives for corn starch film, which can further enhance the practical application potential of corn starch films in food and other industries.
Analysis of roasted peanuts based on GC–MS combined with GC–IMS
Authors: Zhang Liangchen , Shi Puxiang , Sun Jian , Xie Mengxi , Wang Haixin , Shi Taiyuan , Yu Miao 
Published: December 2023

AbstractThe present study used gas chromatography–mass spectrometry (GC–MS) and gas chromatography–ion mobility spectrometry (GC–IMS) to separate and identify the characteristic volatile flavor substances in 30 roasted peanut samples. GC–MS identified 59 volatile compounds, and GC–IMS detected 61 volatile flavor substances. The 30 peanut varieties were then divided into four groups on the basis of their volatile flavor substances using principal component analysis (PCA), and a fingerprint profile of the varieties' volatile characteristics was established from information peaks identified in the spectra. Descriptive sensory analysis (DSA) was performed to distinguish differences in flavor attributes between roasted peanut varieties. Partial least squares regression (PLSR) was performed with the volatile flavor content of roasted peanuts as the independent variable and the flavor attribute score as the dependent variable. These findings provide a basis for predicting the appeal of roasted peanuts based on their composition and demonstrate a potential avenue for improving food flavor quality.