bluuebunny/crossref_metadata_2025_split huggingface dataset:
Direct, Stereodivergent, and Catalytic Michael Additions of Thioimides to α,β‐Unsaturated Aldehydes – Total Synthesis of Tapentadol
Authors: Galeote Oriol , Kennington Stuart C. D. , Benedito Gabriela , Fraedrich Lena , Davies‐Howe Evan , Costa Anna M. , Romea Pedro , Urpí Fèlix , Aullón Gabriel , Font‐Bardia Mercè , Puigjaner Cristina 
Published: January 2024

AbstractDirect and stereodivergent Michael additions of N‐acyl 1,3‐thiazinane‐2‐thiones to α,β‐unsaturated aldehydes catalyzed by chiral nickel(II) complexes are reported. The reactions proceed with a remarkable regio‐, diastereo‐, and enantioselectivity, so access to any of the four potential Michael stereoisomers is granted through the appropriate choice of the chiral ligand of the nickel(II) complex. Simple removal of the heterocyclic scaffold furnishes a wide array of either syn or anti enantiomerically pure derivatives, which can be exploited for the asymmetric synthesis of biologically active compounds, as demonstrated in a new approach to tapentadol. In turn, a mechanism, based on theoretical calculations, is proposed to account for the stereochemical outcome of these transformations.
Analysis of mechanical properties and free vibrational characteristics of novel Grewia optiva/basalt fiber reinforced hybrid polymer composites
Authors: Bijlwan P. P. , Prasad L. , Sharma A. 
Published: January 2024

AbstractThis study emphasize on the fabrication and testing of Grewia optiva/Basalt fiber reinforced polymer composites for use in internal applications of automobiles and aircraft. The study investigates the use of Grewia optiva fiber (local plant based fiber) with Basalt fiber, where chopped Basalt fiber (6, 9, and 12 mm) is reinforced in polyester matrix in combination with Grewia optiva fiber. Composite test specimen are fabricated and analyzed using a smart actuation system to evaluate the free vibrational behavior of the composites experimentally. The impact of various parameters including length of the fiber and its weight percentage on the free vibrational behavior of composites is determined. The percentage of individual reinforced fiber is varied (0, 4, 8, and 12 wt.%) maintaining fiber weight % constant, that is, 12 wt.% of composite. The experimental results help to identify the variations in natural frequencies of Basalt/Grewia optiva fiber based composites. B12/GO0 demonstrate the natural frequency of 67 Hz and 44.71 MPa tensile strength for 12 mm fiber reinforced composites. The finding from this experimental work provide insights into the potential applications of Basalt/Grewia optiva fiber reinforced composites for automobile and air craft industries.
Optimization of microencapsulation of polyaspartic acid ester into UV curable epoxy‐acrylate resin using Taguchi method of experimental design
Authors: Pastarnokienė L. , Potapov E. , Makuška R. , Kochanė T. 
Published: January 2024

AbstractDue to fast reaction with isocyanates, polyaspartic acid esters (PAAE) can be used for the development of microcapsules for self‐healing coatings. Microcapsules with encapsulated PAAE into shell formed by UV‐cured commercial epoxy‐acrylate resin were produced through oil‐in‐water emulsion polymerization triggered by UV light. The obtained microcapsules were characterized by FTIR, TGA, optical microscopy, and SEM. Various encapsulation parameters, including core to shell ratio, agitation speed, emulsifier type and concentration, solvent type and its concentration in the oil phase, have been selected at four different levels. Microencapsulation was optimized using Taguchi L16 parameter design approach for determination of desired outcome as larger is better (maximal core content) and nominal is better (microcapsule diameter of 50 μm). It was determined that conditions to prepare microcapsules with the highest core content and the microcapsule size close to 50 μm are rather similar requiring core‐to‐shell ratio at about 4:1, low agitation speed of 500–1000 rpm, and the use of two polymeric emulsifiers poly(vinyl alcohol) and Gum Arabic at concentration of about 2%. Primary benefits of UV‐induced shell formation during microencapsulation of active compounds are remarkably shorter time of the process and possibilities to reach high core content and prepare microcapsules of desirable size.
Diverse migratory strategies for a hawksbill sea turtle population
Authors: Maurer Andrew S. , Seminoff Jeffrey A. , Burford Reiskind Martha O. , Stapleton Seth P. 
Published: January 2024

Abstract

Outside of short, infrequent visits to reproductive habitats, sea turtle lifespans are largely spent in foraging areas. Supporting imperilled populations in an era of biodiversity declines and environmental change requires improvements in the understanding of foraging distributions, plus the migratory corridors that connect foraging and reproductive habitats.
This study evaluates the migratory strategies and foraging geography of hawksbill sea turtles (Eretmochelys imbricata) in the Western Atlantic. The post‐nesting migrations of 22 females were tracked via satellite telemetry from Long Island, Antigua, during 2016–2019, and a state‐space model was utilized to estimate true turtle locations from Argos satellite fixes. Model output was used to characterize migratory routes and home ranges occupied during non‐migratory inter‐nesting and foraging periods.
Hawksbill migrations (N = 19) resulted in displacements to foraging areas ranging 7–2300 km. Foraging geography varied considerably—whereas eight turtles remained in the immediate vicinity of Antigua and Barbuda (<30 km), there were also longer‐distance migrations (>470 km) to locations such as The Bahamas and Nicaragua. Inter‐nesting core home ranges (50% utilization distributions) ranged from 7 to 72 km2, while foraging core areas ranged from 7 to 46 km2.
These results add to evidence suggesting that, broadly, post‐nesting hawksbills forage in neritic habitats throughout the Wider Caribbean, including several high‐use areas. Short displacements to foraging habitats relatively nearby to nesting beaches appear to be the most common migratory behaviour, but individuals in a single population may exhibit various migratory strategies, resulting in basin‐wide connectivity between nesting and foraging sites. Given that a single individual or nesting population may inhabit several management jurisdictions, an idealized scenario for regional hawksbill conservation would entail data sharing between managers at linked nesting areas, foraging habitats and migratory corridors such that policies to protect key habitats and mitigate human impacts are designed and evaluated based on best‐available science.
Inhibitory effect of galantamine and donepezil combination against cholinesterase: An in silico and in vitro study
Authors: Adarvez‐Feresin Camila W. , Ortiz Javier E. , Piñeiro Mauricio D. , Parravicini Oscar , Enriz Ricardo D. , Garro Adriana D. , Feresin Gabriela E. 
Published: January 2024

AbstractThis study aimed to evaluate the in silico and in vitro inhibitory effect of the combined use of galantamine (GAL) and donepezil (DON) against acetylcholinesterase and butyrylcholinesterase (BuChE) enzymes. In silico and in vitro cholinesterase analysis were carried out for GAL and DON alone and combined. Molecular modeling studies were carried out (docking analysis, molecular dynamics simulation, and quantum theory of atoms in molecules). Cholinesterase's inhibitory activities by modified Ellman's method and the drug combination effect using the Chou–Talalay method were assayed. GAL/DON combination showed the co‐occupancy of the ligands in both enzymes through in silico studies. Regarding in vitro BuChE inhibition analyses, three of five combinations showed an interaction between GAL and DON at the threshold of additive affect (0.9 < CI < 1.1), with a tendency toward a synergistic effect for higher concentrations. This is the first report showing the efficacy of the GAL/DON combinations inhibiting BuChE, showing the importance of analyzing the behavior of different ligands when co‐occupancy into the active site is possible. These combinations might be a possible therapy to improved efficacy, reduced doses, minor side effects, and high levels of the neurotransmitter in the synaptic space for Alzheimer's disease.
Recent Progress on Tumor Microenvironment‐Activated NIR‐II Phototheranostic Agents with Simultaneous Activation for Diagnosis and Treatment
Authors: Xiao Hao , Wu Gui‐long , Tan Senyou , Tan Xiaofeng , Yang Qinglai 
Published: January 2024

AbstractMalignant tumors seriously threaten human life and well‐being. Emerging Near‐infrared II (NIR‐II, 1000–1700 nm) phototheranostic nanotechnology integrates diagnostic and treatment modalities, offering merits including improved tissue penetration and enhanced spatiotemporal resolution. This remarkable progress has opened promising avenues for advancing tumor theranostic research. The tumor microenvironment (TME) differs from normal tissues, exhibiting distinct attributes such as hypoxia, acidosis, overexpressed hydrogen peroxide, excess glutathione, and other factors. Capitalizing on these attributes, researchers have developed TME‐activatable NIR‐II phototheranostic agents with diagnostic and therapeutic attributes concurrently. Therefore, developing TME‐activatable NIR‐II phototheranostic agents with diagnostic and therapeutic activation holds significant research importance. Currently, research on TME‐activatable NIR‐II phototheranostic agents is still in its preliminary stages. This review examines the recent advances in developing dual‐functional NIR‐II activatable phototheranostic agents over the past years. It systematically presents NIR‐II phototheranostic agents activated by various TME factors such as acidity (pH), hydrogen peroxide (H2O2), glutathione (GSH), hydrogen sulfide (H2S), enzymes, and their hybrid. This encompasses NIR‐II fluorescence and photoacoustic imaging diagnostics, along with therapeutic modalities, including photothermal, photodynamic, chemodynamic, and gas therapies triggered by these TME factors. Lastly, the difficulties and opportunities confronting NIR‐II activatable phototheranostic agents in the simultaneous diagnosis and treatment field are highlighted.
Schnelleres Bauen im Bestand – Herausforderungen und Chancen
Authors: von Weschpfennig Dieter , Müller Matthias , Richter Carl 
Published: January 2024

AbstractDie Bilanz des Bundesministeriums aus dem Jahr 2022 zeigt auf, dass im Netz der Bundesfernstraßen ca. 11.000 Teilbauwerke zu modernisieren sind. Ziel bei der Modernisierungsmaßname Ersatzneubau ist es, den Rück‐ und Neubau mit einem Minimum an Verkehrseinschränkungen auszuführen. Daher ist es erforderlich, alle Möglichkeiten für ein schnelleres Bauen im Bestand auszuschöpfen. 81 % der Teilbauwerke im Modernisierungsnetz der Autobahn liegen im Längenbereich zwischen 2 m und 30 m. Damit wird deutlich das Standardisierungspotenzial bei Ersatzneubauten aufgezeigt. Die Aspekte Regelwerke und Rückbau von Bestandsbrücken werden beleuchtet. Vorgestellt werden Forschungsprojekte, die Wege zum innovativen, modularen und damit auch nachhaltigen Ersatzneubau aufzeigen. Ergänzend werden Ergebnisse aus dem Forschungsvorhaben „Fertigteile aus hochfestem Beton“ vorgestellt, mit denen der Einsatzbereich von Fertigteilen im Brückenbau deutlich erweitert wird. Abschließend wird auf die Themen Digitalisierung und Vertragsgestaltung eingegangen, die ebenfalls Potenzial für ein schnelleres Bauen aufweisen. Bei allen Stakeholdern sind große Anstrengungen erforderlich, damit die immense Aufgabe erfüllt werden kann.
Young children's right to be heard on the quality of their education: Addressing potential misunderstandings in the context of early childhood education
Authors: Lundy Laura , Murray Colette , Smith Kylie , Ward Carmel 
Published: January 2024

AbstractIn early childhood education many researchers and professionals across the world have embraced the United Nations Convention on the Rights of the Child's requirement to include young children in decision‐making. In the context of ongoing discussion about young children's capacity to share their views and opinions about matters affecting them, there is often a focus on demonstrating ‘evidence’ that young children can participate in decision‐making as capable meaning‐makers in their own lives, defying traditional paternalistic approaches and assumptions. While acknowledging the important work that has been undertaken to support children's participatory rights, this article seeks to raise questions about whether understanding the right of young children to be heard, particularly in relation to the quality of their education, may have been subject to a form of ‘rights inflation’ that has extended the scope of the application of the right beyond the parameters of the legal framework and/or promoted an interpretation which exceeds what the text of the Convention can bear. In this article, we explore three possible misrepresentations relating to young children's participation in decision‐making related to the quality of education: (1) that all children can, should and want to have opportunities to share views on all matters affecting them; (2) that young children should always be allowed to learn and play freely; and (3) that children aretheexperts in their worlds. We do this to open up a conversation about the limits and partiality of young children's participation when viewed through the lens of children's human rights, highlighting, inter alia, the ongoing need to underscore the role of parents/guardians and professionals in enabling young children to enjoy all of their human rights, including the right to a quality education, fully.
Untersuchungen zur Streuung der Betondruckfestigkeit beim Neubau aktueller Brückenbauwerke
Authors: Kainz Christian , Braml Thomas 
Published: January 2024

AbstractBei der Bemessung neuer Bauwerke sowie bei der Nachrechnung bestehender Bauwerke werden streuende Größen wie Materialeigenschaften oder Bauteilabmessungen durch Rechenwerte abgebildet. Bei der Betondruckfestigkeit handelt es sich um eine streuende Größe. Kleinere Streuungen ermöglichen den Ansatz von günstigeren Materialkennwerten, da dadurch Unsicherheiten verringert werden. Vor rund 50 Jahren wurden diese Streueigenschaften grundlegend erforscht und die Ergebnisse sind daraufhin in die nationale und internationale Normung angewandt worden. Viele am Bau Beteiligte berichten von deutlichen Steigerungen der tatsächlichen Betonfestigkeiten sowie konstanteren Eigenschaften in den letzten Jahrzehnten. Vor dem Hintergrund der verbesserten Produktionsbedingungen sowie der dringenden Notwendigkeit zur Ressourceneinsparung wird im vorliegenden Beitrag anhand von mehreren aktuellen Brückenbaumaßnahmen im süddeutschen Raum untersucht, in welchem Maße sich die Streuung der Betondruckfestigkeit gegenüber den bisherigen Annahmen verändert hat. Dazu werden die Ergebnisse der Druckfestigkeitsprüfungen von knapp 600 Prüfkörpern statistisch ausgewertet. Die Analyse zeigt für aktuelle Neubaumaßnahmen von Brücken eine wesentlich kleinere Streuung als bisher angenommen. Abschließend wird dieses Ergebnis in den historischen Kontext eingeordnet und mögliche Ursachen erläutert.
The adverse characteristics of hepatocellular carcinoma in the non‐cirrhotic liver disproportionately disadvantage Black patients
Authors: Shaltiel Tali , Sarpel Umut , Branch Andrea D. 
Published: January 2024

AbstractBackgroundBlack patients have higher hepatocellular carcinoma (HCC)‐related mortality than White patients and more often develop HCC in non‐cirrhotic liver. HCC surveillance is primarily directed toward cirrhotic patients. We aimed to characterize HCC in non‐cirrhotic patients and to identify factors associated with HCC beyond Milan criteria.MethodsDemographic, imaging, laboratory, and pathology data of HCC patients at our institution, 2003–2018, were reviewed, retrospectively. Race/ethnicity were self‐reported. Cirrhosis was defined as a Fibrosis‐4 score ≥3.25.ResultsCompared to 1146 cirrhotic patients, 411 non‐cirrhotic patients had larger tumors (median 4.7 cm vs. 3.1 cm, p < 0.01) and were less likely to be within Milan criteria (42.6% vs. 57.7%, p < 0.01). Among non‐cirrhotic patients, Black patients had larger tumors (4.9 cm vs. 4.3 cm, p < 0.01) and a higher percentage of poorly differentiated tumors (39.4% vs. 23.1%, p = 0.02). Among cirrhotic patients, Black patients had larger tumors (3.3 cm vs. 3.0 cm, p = 0.03) and were less likely to be within Milan criteria (52.3% vs. 83.2%, p < 0.01). In multivariable analysis, lack of commercial insurance (OR 1.45 [CI 95% 1.19–1.83], p < 0.01), male sex (OR 1.34 [CI 95% 1.05–1.70], p < 0.01), absence of cirrhosis (OR 1.58 [CI 95% 1.27–1.98], p < 0.01) and Black race/ethnicity (OR 1.34 [CI 95% 1.09–1.66], p = 0.01) were associated with HCC beyond Milan criteria. Black patients had lower survival rates than other patients (p < 0.01).ConclusionsNon‐cirrhotic patients had more advanced HCC than cirrhotic patients. Black patients (with or without cirrhosis) had more advanced HCC than comparable non‐Black patients and higher mortality rates. Improved access to healthcare (commercial insurance) may increase early diagnosis (within Milan criteria) and reduce disparities.
Phenotype analysis of families with TP53 germline variants at the Center for Familial Breast and Ovarian Cancer, Cologne
Authors: Kast K. , Rhiem K. , Larsen M. , Wappenschmidt B. , Schmutzler R. 
Published: January 2024

AbstractPurposeTumor protein p53 (TP53) pathogenic variant (PV) carriers are identified during genetic testing for hereditary causes of cancer. PVs in TP53 are associated with the Li‐Fraumeni syndrome (LFS), and thus, surveillance and preventive measures are important for TP53 PV carriers. However, the penetrance of TP53 PVs can be low if the Chompret criteria are not fulfilled. In this study, we compared the phenotypic characteristics of families that did and did not fulfill the LFS criteria according to Chompret.MethodsThe German Consortium for Hereditary Breast and Ovarian Cancer (GC‐HBOC) database was used to identify index patients with a likely pathogenic/pathogenic TP53 variant and their family members. The study investigated the type of variant, pedigree, age of onset, number of primary tumors, and histological type of BC.ResultsTP53 PV were present in the index cases of 35 families, 57% (20/35) of which fulfilled the Chompret criteria. The median age of onset at first BC diagnosis was lower in families that fulfilled the Chompret criteria compared to those who did not. Four of all diseased individuals were minors (4%; 4/105) when malignancy was first diagnosed. Sarcomas and brain tumors occurred in 10% (10/105) and in 7% (7/105) of all diseased persons, respectively. BC was the most frequently occurring first tumor (60%; 62/105) and additional malignancy (45%; 20/44) in this cohort. Subsequent malignancies developed in 31% (20/65) of the individuals who fulfilled the Chompret criteria compared with 15% (6/40) of those who did not.ConclusionThe tumor spectrum and age of onset found in this study showed that tumors other than BC had low disease penetrance in TP53 PV carriers identified using the GC‐HBOC criteria for genetic testing.
Biomarkers of peripheral blood neutrophil extracellular traps in the diagnosis and progression of malignant tumors
Authors: Wang Min , Lv Xiaoyan , Wang Ying , Li Yao , Li Honghong , Shen Zhongjun , Zhao Liyan 
Published: January 2024

AbstractBackground and AimsThe mortality rate associated with malignant tumors remains high and there is a lack of effective diagnostic and tumor progression markers. Neutrophil extracellular traps (NETs) can promote tumor‐associated thrombosis, invasive metastasis, and inflammatory responses, but there is a lack of research on the value of measuring NETs in the peripheral blood of patients with malignancies.MethodsWe included 263 patients with malignancies (55 gliomas, 101 ovarian, 64 colorectal, and 43 lung cancers) and 75 healthy controls in this study. We compared the levels of citrullinated histone H3 (citH3), cell‐free DNA (cfDNA), and systemic inflammation‐related parameters, including neutrophils, lymphocytes, monocytes, platelets, neutrophil‐to‐lymphocyte ratio, monocyte‐to‐lymphocyte ratio, platelet‐to‐lymphocyte ratio, systemic immune inflammation index, and systemic inflammation response index. We assessed the value of changes in NETs in peripheral blood to determine the diagnosis, venous thromboembolism, clinical staging, and systemic inflammatory response in patients with malignancy.ResultsThe levels of citH3 and cfDNA in peripheral blood can distinguish between healthy controls and tumor patients. The levels of citH3 and cfDNA before clinical intervention did not predict the risk of combined venous thromboembolism in oncology patients in the short‐term after clinical intervention. The levels of citH3, cfDNA, and systemic inflammation‐related parameters in the peripheral blood of tumor patients increased with the clinical stage. There was a correlation between cfDNA levels in peripheral blood and systemic inflammation‐related parameters in tumor patients, and this correlation was more significant in patients with advanced tumors.ConclusionsChanges in NETs in the peripheral blood differ between healthy controls and patients with malignant tumors. NETs may be involved in tumor‐induced systemic inflammatory responses through interaction with circulating inflammatory cells, thus promoting tumor progression. NETs may be used as markers to assist in the diagnosis and progression of tumor malignancy.
In silico Design, Synthesis and Biological Evaluation of Novel Thieno[3,2‐d]pyrimidine Derivatives for Cancer Therapy – A Preliminary Study on the Inhibitory Potential towards ATR Kinase Domain and PIKK Family
Authors: Sirakanyan Samvel N. , Dilip Haritha , Geronikaki Athina , Spinelli Domenico , Kirubakaran Sivapriya , Petrou Anthi , Hakobyan Elmira K. , Kartsev Victor G. , Paronikyan Ervand G. , Yegoryan Hasmik A. , Yermalovyan Lilit V. , Hovakimyan Anush A. 
Published: January 2024

AbstractContinuing our studies in the field of new heterocyclic compounds with biological interest, herein we report the synthesis and anticancer activity of new N‐ and S‐substituted derivatives of tetracyclic pyrido[3′,2′ : 4,5]thieno[3,2‐d]pyrimidines. In this regard, starting from the thieno[2,3‐b]pyridine‐2‐carboxylates, the corresponding 8(9)‐aminopyrido[3′,2′ : 4,5]thieno[3,2‐d]pyrimidin‐7(8)‐ones, as well as chloro derivatives were obtained. Based on the latter, amino, hydrazino and S‐alkyl derivatives of pyrido[3′,2′ : 4,5]thieno[3,2‐d]pyrimidines were synthesized subsequently. The current study focuses on identifying the potential of thieno[3,2‐d]pyrimidine derivatives primarily towards ATR kinase inhibition, through computational predictions, followed by synthesis and cancer cell viability studies, along with an aim to develop the core as PIKK inhibitors for cancer therapy.