bluuebunny/crossref_metadata_2025_split huggingface dataset:
Probabilistischer Nachweis einer Spannbetonbrücke – Teil 1
Authors: Özlü Caner , Küttenbaum Stefan , Kainz Christian , Braml Thomas , Taffe Alexander 
Published: June 2024

AbstractDer Erhalt der bestehenden Verkehrsinfrastruktur ist eine große Herausforderung, da die Bauwerke fortwährend altern, die Verkehrsbeanspruchung zunehmend steigt und deren umfassender Ersatz mit Blick auf begrenzte Budgets und Ressourcen nicht möglich ist. An Bestandsbauten können tatsächliche Materialkennwerte, Geometrien oder Einwirkungen objektspezifisch erfasst werden. Die Nachrechnung von Bestandsbrücken erfolgt in Deutschland gemäß Nachrechnungsrichtlinie nach Stufen 1 und 2 mit dem semiprobabilistischen Teilsicherheitskonzept. Nur im Ausnahmefall wird eine messbasierte Bewertung oder eine wissenschaftliche Betrachtung gemäß Stufen 3 und 4 durchgeführt. Die Einbeziehung zusätzlicher Informationen aus der Zustandserfassung bietet jedoch viele Vorteile für eine realitätsnahe Bewertung. In probabilistischen Berechnungsmethoden können solche Kenntnisse direkt in der Berechnung berücksichtigt werden. Ziel dieses zweiteiligen Beitrags ist die Vorstellung der Potenziale und Vorteile bei der direkten Berücksichtigung der Ergebnisse von zerstörungsfreien Prüfverfahren bei der Zustandsbewertung von Brückenbauwerken. Das Konzept wird an einer Spannbetonbrücke vorgestellt. Der erste Teil befasst sich mit den Möglichkeiten zur Überführung der Eingangswerte der üblichen semiprobabilistischen Berechnung in stochastische Modelle. Ausgehend von der semiprobabilistischen Nachrechnung nach derzeitigem Regelwerk wird die probabilistische Modellierung aller relevanten Basisvariablen für die Grenzzustände der Tragfähigkeit Biegung, Querkraft und Torsion ausgeführt.
Reaching for net zero: The impact of an innovative university‐led business support programme on carbon management strategy and practices of small and medium‐sized enterprises
Authors: Mazhar Muhammad Usman , Domingues Ana Rita , Yakar‐Pritchard Gamze , Bull Richard , Ling Kate 
Published: June 2024

AbstractSmall and medium‐sized enterprises (SMEs) are at the heart of the economy, representing the majority of businesses in the United Kingdom and the European Union, and employ a high percentage of people. With this positive impact comes an environmental footprint. SMEs account for around half (43–53%) of the greenhouse gas emissions, yet typically, they lack the support that larger organisations have in‐house and are often hard to reach in terms of engagement, policy and practical interventions. SMEs face a range of barriers to implementing carbon management and are still a misunderstood sector both in their approach to carbon management and how best to provide business support for change. This research addresses that challenge by investigating the impact of an innovative university‐led business support programme to help SMEs develop a carbon management strategy and practices. The research adopted a quantitative approach with a pre‐ and post‐intervention survey to gather data from 101 SMEs in the context of the Sustainability in Enterprise (SiE) programme at Nottingham Trent University, United Kingdom. The study shows that universities have an important role, and the SiE programme had a significant impact on SMEs' transition to net zero through policy and strategy development, resource monitoring, carbon footprinting, target setting and carbon management maturity. The research highlights the importance of business support for SMEs, specifically in carbon management, while segmenting based on size and sector to meet ambitious local, national and global net zero targets.
Organic food consumption: A bibliometric–content analysis
Authors: Pant Satish Chandra , Saxena Raka , Pant Devesh Kumar , Singh Ritambhara 
Published: June 2024

AbstractThe growing trend towards organic food consumption (OFC) due to health, environmental, and other concerns necessitates the need for systematic research in this area. Analyzing 783 articles listed in the Scopus database from 1991 to 2022, this systematic study was conducted with the most updated guidelines laid by avid and prominent researchers in the field of bibliometrics to review the evolution of trends and themes in OFC globally. The study synthesized the existing research on OFC and identified gaps in knowledge using performance analysis, science mapping, and content analysis. Purchase intentions, health consciousness, attitudes to OFC, the theory of planned behavior (TPB), green marketing, and environmental concerns emerged as the growing concepts across the themes and clusters in the recent period. Importantly, based on the analyzed literature, the study also maps out possible research topics for future research that could help improve the research trajectory in the OFC field. Overall, the study provides helpful resources for researchers, particularly new scholars, in the field of OFC.
Cardiovascular outcomes of complex bifurcation lesions following double kissing crush or nano‐crush techniques: The multicenter EVOLUTE‐CRUSH V study
Authors: Çizgici Ahmet Yaşar , Güner Ahmet , Alizade Elnur , Çetin İlyas , Serin Ebru , Doğan Abdullah , Gökçe Kaan , Serter Berkay , Çiloğlu Koray , Kahraman Serkan , Uysal Hande , Çörekçioğlu Büşra , Demirci Gökhan , Tanık Veysel Ozan , Aktürk Faruk , Keskin Kudret , Püşüroğlu Hamdi , Akman Cemalettin , Yıldız Mustafa , Ertürk Mehmet , Uzun Fatih 
Published: June 2024

AbstractBackgroundDouble kissing crush (DKC) and nano‐crush (NC) techniques are frequently used, but the comparison for both techniques is still lacking. The goal of this multicenter study was to retrospectively assess the midterm clinical results of DKC and NC stenting in patients with complex bifurcation lesions (CBLs).MethodsA total of 324 consecutive patients [male: 245 (75.6%), mean age: 60.73 ± 10.21 years] who underwent bifurcation percutaneous coronary intervention between January 2019 and May 2023 were included. The primary endpoint defined as the major cardiovascular events (MACE) included cardiac death, target vessel myocardial infarction (TVMI), or clinically driven target lesion revascularization (TLR). Inverse probability weighting (IPW) was performed to reduce treatment selection bias. This is the first report comparing the clinical outcomes of DKC and NC stenting in patients with CBL.ResultsThe initial revascularization strategy was DKC in 216 (66.7%) cases and NC in 108 (33.3%) patients. SYNTAX scores [25.5 ± 6.73 vs. 23.32 ± 6.22, p = 0.005] were notably higher in the NC group than the DKC group. The procedure time (76.98 ± 25.1 vs. 57.5 ± 22.99 min, p = 0.001) was notably higher in the DKC group. The incidence of MACE (18.5 vs. 9.7%, p = 0.025), clinically driven TLR (14.8 vs. 6%, p = 0.009), and TVMI (10.2 vs. 4.2%, p = 0.048) were notably higher in the NC group than in the DKC group. The midterm MACE rate in the overall population notably differed between the NC group and the DKC group (adjusted HR (IPW): 2.712, [95% CI: 1.407−5.228], p = 0.003).ConclusionIn patients with CBLs, applying the DKC technique for bifurcation treatment had better ischemia‐driven outcomes than the NC technique.
g‐C3N4 Based Composite Materials for Photo‐Fenton Reaction in Water Remediation: A Review of Synthesis Methods, Mechanism and Applications
Authors: Bai Yuan , Zheng Haoyu , Shen Xintong , Hu Kexin , Huang Weiting , Liu Jie 
Published: June 2024

AbstractOrganic pollutants in water pose significant challenges for water treatment due to their harmful effects and resistance to conventional methods. The rapid increase in industrial wastewater discharge has heightened the need for effective pollutant degradation techniques. Photo‐Fenton technology, an advanced oxidation process, has gained attention for its ability to degrade a wide range of organic contaminants in water. Developing high‐performance photo‐Fenton catalysts is therefore crucial. Graphitic carbon nitride (g‐C3N4) stands out in this field due to its suitable energy band structure, stable properties, and simple synthesis process. However, its application is limited by a low specific surface area, narrow light absorption, and high recombination rate of photogenerated carriers. This review provides a concise overview of current research on g‐C3N4 in photo‐Fenton technology, covering synthesis methods, modifications, and the mechanisms enhancing its photo‐Fenton activity. It also highlights key factors affecting g‐C3N4’s effectiveness in photo‐Fenton reactions and discusses recent advancements in its applications. The review concludes with an analysis of existing challenges and potential future directions for g‐C3N4‐based photo‐Fenton catalysts, offering theoretical insights to advance their industrial use in wastewater treatment.
Stereoselective Crystallization of Chiral Pharmaceuticals Aided by Cellulose Derivatives through Helical Pattern Matching
Authors: Wang Zhaoxu , Ye Xichong , Chen Yifu , Liu Yingze , Xie Siyu , Tao Yi , Zhang Jie , Wan Xinhua 
Published: June 2024

AbstractStereoselective inhibition aided by “tailor‐made” polymeric additives is an efficient approach to obtain enantiopure compounds through conglomerate crystallization. The chemical and configurational match between the side groups of polymers and the molecules of undesired enantiomer is considered to be a necessary condition for successful stereoseparation. Whereas in this contribution, we present an effective resolution of chiral pharmaceuticals by using cellulose acetates as the additives, which stereoselectively reside on the specific crystal faces of one enantiomer and inhibit its crystal nucleation and growth through helical pattern and supramolecular interaction complementarity. An investigation of nimodipine serves as a case study to highlight the novelty of this strategy wherein R‐crystals exhibiting an impressive enantiomeric excess value of 97 % can be attained by employing a mere 0.01 wt % cellulose acetate. Guaifenesin and phenyl lactic acid are also well‐resolved by utilizing this methodology. Our work not only brings about a brand‐new design strategy for “tailor‐made” additives, but will also promote the further exploration of the endless potential for utilizing natural biomolecules in chiral recognition and resolution.
Stereochemically Active Lone Pairs Stabilizing Intrinsic Vacancy Defects in Thermoelectric InTe
Authors: Støckler Kristoffer Andreas Holm , Zhang Jiawei , Brummerstedt Iversen Bo 
Published: June 2024

AbstractHarvesting waste heat efficiently with thermoelectric energy conversion requires materials with low thermal conductivity. Recently, it was demonstrated how dynamic lone pair expression in thermoelectric InTe is responsible for giant anharmonicity leading to a very low lattice thermal conductivity. InTe also contains correlated disorder of intrinsic defects due to vacancies, and this contributes to additional lowering of the thermal conductivity. Here we use the three‐dimensional difference pair distribution function (3D‐ΔPDF) to analyze 25 K single crystal diffuse X‐ray scattering from InTe to unravel the local defect structure, and propose a microscopic structural model. Extended off‐centering of In+ ions induced by vacancies allows for the local expression of stereochemically active lone pairs. The associated electronic stabilization is proposed to be a driving force for the formation of In+ vacancy defects in InTe.
Tuning Tumor Targeting and Ratiometric Photoacoustic Imaging by Fine‐Tuning Torsion Angle for Colorectal Liver Metastasis Diagnosis
Authors: Xu Jinyuan , Lv Zhangkang , Wang Liping , Wu Xingqing , Tan Bisui , Shen Xing‐Can , Chen Hua 
Published: June 2024

AbstractPhotoacoustic (PA) tomography is an emerging biomedical imaging technology for precision cancer medicine. Conventional small‐molecule PA probes usually exhibit a single PA signal and poor tumor targeting that lack the imaging reliability. Here, we introduce a series of cyanine/hemicyanine interconversion dyes (denoted Cy‐HCy) for PA/fluorescent dual‐mode probe development that features optimized ratiometric PA imaging and tunable tumor‐targeting ability for precise diagnosis and resection of colorectal cancer (CRC). Importantly, Cy‐HCy can be presented in cyanine (inherent tumor targeting and long NIR PA wavelength) and hemicyanine (poor tumor targeting and short NIR PA wavelength) by fine‐tuning torsion angle and the ingenious transformation between cyanine and hemicyanine through regulation optically tunable group endows the NIR ratiometric PA and tunable tumor‐targeting properties. To demonstrate the applicability of Cy‐HCy dyes, we designed the first small‐molecule tumor‐targeting and NIR ratiometric PA probe Cy‐HCy‐H2S for precise CRC liver metastasis diagnosis, activated by H2S (a CRC biomarker). Using this probe, we not only visualized the subcutaneous tumor and liver metastatic cancers in CRC mouse models but also realized PA and fluorescence image‐guided tumor excision. We expect that Cy‐HCy will be generalized for creating a wide variety of inherently tumor‐targeting NIR ratiometric PA probes in oncological research and practice.
Synthesis and Carbonic Anhydrase I, II, IX, and XII Inhibition Studies with a Series of Cyclic Sulfonyl Guanidines
Authors: Abdoli Morteza , Bonardi Alessandro , Supuran Claudiu T. , Žalubovskis Raivis 
Published: June 2024

AbstractA series of thirteen cyclic sulfonyl guanidines were prepared and evaluated against tumor‐associated human (h) carbonic anhydrase (CA, EC 4.2.1.1) isoforms hCA IX and hCA XII, as well as against off‐target cytosolic isoforms hCA I and hCA II. The compounds reported here were generally inactive against both off‐target isoforms (KI>100 μM), while all of them moderately inhibited both target isoforms hCA IX and XII in the submicromolar to micromolar ranges in which KI values spanned from 0.57 to 8.4 μM against hCA IX and from 0.34 to 9.7 against hCA XII. Due to the notable selectivity of the title compounds toward isoforms hCA IX and XII, they can be considered as useful scaffolds for further chemical optimization to develop new highly selective antitumor agents.
N‐Benzyl piperidine Fragment in Drug Discovery
Authors: Sharma Ankita , Sharma Mohit , Bharate Sandip B. 
Published: June 2024

AbstractThe N‐benzyl piperidine (N‐BP) structural motif is commonly employed in drug discovery due to its structural flexibility and three‐dimensional nature. Medicinal chemists frequently utilize the N‐BP motif as a versatile tool to fine‐tune both efficacy and physicochemical properties in drug development. It provides crucial cation‐π interactions with the target protein and also serves as a platform for optimizing stereochemical aspects of potency and toxicity. This motif is found in numerous approved drugs and clinical/preclinical candidates. This review focuses on the applications of the N‐BP motif in drug discovery campaigns, emphasizing its role in imparting medicinally relevant properties. The review also provides an overview of approved drugs, the clinical and preclinical pipeline, and discusses its utility for specific therapeutic targets and indications, along with potential challenges.
Benzofuran‐2‐Carboxamide Derivatives as Immunomodulatory Agents Blocking the CCL20‐Induced Chemotaxis and Colon Cancer Growth
Authors: Barbieri Francesca , Grazia Martina Maria , Giorgio Carmine , Linda Chiara Maria , Allodi Marika , Durante Joseph , Bertoni Simona , Radi Marco 
Published: June 2024

AbstractThe correlation between the CCL20/CCR6 axis and autoimmune and non‐autoimmune disorders is widely recognized. Inhibition of the CCL20‐dependent cell migration represents therefore a promising approach for the treatment of many diseases, such as inflammatory bowel diseases and colorectal cancer. We report herein our efforts to explore the biologically relevant chemical space around the benzofuran scaffold of MR120, a modulator of the CCL20/CCR6 axis previously discovered by our group. A functional screening allowed us to identify C4 and C5‐substituted derivatives as the most effective inhibitors of the CCL20‐induced chemotaxis of human peripheral blood mononuclear cells (PBMC). Moreover, selected compounds (16 e and 24 b) also proved to potently inhibit the growth of different colon cancer cell lines, with cytotoxic/cytostatic and antiproliferative activity.
A single‐centre study evaluating a geriatric screening tool in oncology phase I trial patients
Authors: Van Zyl Mary , Barell Anne , Cooley Bridget , Hanwell Janet , Parlak Josie , Banerji Udai , De Bono Johann , Sharp Adam , Lopez Juanita , Battisti Nicolo Matteo Luca , Minchom Anna 
Published: June 2024

AbstractBackgroundThough cancer is more prevalent in the older population, this patient group are underrepresented in phase I oncology trials.AimsWe evaluated the use of a geriatric screening tool (SAOP3) in patients of 70 years of age or older who attended a Phase I Clinical Trials Unit, with the aim of assessing the feasibility of the tool and identifying potential unmet needs in this patient group.MethodsTwenty‐two patients over the age of 70 completed the SAOP3 questionnaire. Geriatric impairments and needs were analysed with descriptive statistics. Qualitative responses were grouped in themes using structured thematic analysis.ResultsAll of patients triggered at least 1 geriatric domain, most commonly mobility. Six core themes were identified as being important to the patient including family, friends and positivity. On cognition assessment over 20% of patients triggered as requiring further cognitive assessment. The group had a relatively high screen fail risk.ConclusionIn conclusion, routine geriatric screening withSAOP3 was feasible and identified areas of patient need. Results highlight the prevalence of psychological distress and cognitive impairment. Geriatric screening offers an opportunity for prehabilitation prior to trial and support during trial participation to optimise safety and improve trial access.
Explicable recommendation model based on a time‐assisted knowledge graph and many‐objective optimization algorithm
Authors: Zheng Rui , Wu Linjie , Cai Xingjuan , Xu Yubin 
Published: June 2024

SummaryExisting research on recommender systems primarily focuses on improving a single objective, such as prediction accuracy, often ignoring other crucial aspects of recommendation performance such as temporal factor, user satisfaction, and acceptance. To solve this problem, we proposed an explicable recommendation model using many‐objective optimization and a time‐assisted knowledge graph, which utilizes user interaction times within the graph to prioritize recommending recently frequently visited items and is further optimized using a many‐objective optimization algorithm. In this model, the temporal weight of user actions at different times is first determined through a time decay function. Additionally, if a user clicks on the same item again, the current action's temporal weight is set to one. This strategy prioritizes recent user actions and frequently visited items, reflecting current interests and preferences better. Next, the created knowledge graph is used to create a list of potential recommendations. Embedding methods obtain the vectors for entities and relations in the path. These vectors, combined with the temporal weight of actions, quantify the explainability of user recommendations. Optimizing the rest of the recommendation performance with many objective algorithms while focusing on the user's recent frequent visits to the item. Finally, the outcomes of the research study indicate that, compared to other explicable recommended methods, our model, considering temporal factor, improved average accuracy by 11%, diversity by 1%, and explainability by 21% in the Useraction1 data set. Results in other data sets also indicate that the proposed model maintains accuracy, diversity, and novelty while enhancing explainability.
5‐Aza‐adenine Derivatives for Crop‐Protection: Multicomponent Synthesis, Experimental and Theoretical Structural Analysis
Authors: Tan Lin Yuing , Lim Felicia Phei Lin , Wong Sheryn , Chuah Lay Hong , Frontera Antonio , Tiekink Edward R. T. , Dolzhenko Anton V. 
Published: June 2024

AbstractA microwave‐assisted synthesis of 7‐amino‐1,2,4‐triazolo[1,5‐a][1,3,5]triazine‐2‐propanamides was developed using a three‐component, catalyst‐free reaction of cyanamide and trimethyl orthoformate with 3‐(5‐amino‐1H‐1,2,4‐triazol‐3‐yl)propanamides (3). The reaction tolerated structurally diverse substrates and proceeded chemo‐ and regio‐selectively, affording the target compounds in high purity in 5–10 minutes. The convenient chromatography‐free isolation and purification of the products add practicality to this method. The structural features of the prepared compounds were investigated using dynamic NMR spectroscopy, X‐ray crystallography and computational chemistry calculations. X‐ray crystallography performed on a representative compound, 3‐(7‐amino‐1,2,4‐triazolo[1,5‐a][1,3,5]triazin‐2‐yl)‐N‐(4‐benzyl)propanamide (4 l), showed the overall molecular conformation to adopt the shape of the letter C. Notable localisation of π‐electron density is found within the 1,2,4‐triazolo[1,5‐a][1,3,5]triazine system; a relatively short C−NH2 bond is consistent with restricted rotation about this bond. This study also presents a detailed analysis of the molecular interactions in 4 l using DFT and QTAIM methods with a focus on the hydrogen‐bonding and π‐stacking interactions that influence the molecular packing of 4 l. The findings reveal the significant roles of N−H⋅O, N−H⋅N and C−H⋅N interactions, along with electrostatically enhanced π⋅π contacts. A broad screening for insecticidal, fungicidal and herbicidal properties identified several compounds with potent herbicidal activity against Matricaria inodora.
Biomass‐Derived, Target Specific, and Ecologically Safer Insecticide Active Ingredients
Authors: Goculdas Tejas , Ramirez Maximus , Crossley Michael , Sadula Sunitha , Vlachos Dionisios G. 
Published: June 2024

AbstractWith the continuous increase in food production to support the growing population, ensuring agricultural sustainability using crop‐protecting agents, such as pesticides, is vital. Conventional pesticides pose significant environmental risks, prompting the need for eco‐friendly alternatives. This study reports the synthesis of new amide‐based insecticidal active ingredients from biomass‐derived monomers, specifically furfural and vanillin. The process involves reductive amination followed by carbonylation. The synthesis of the furfural‐based carbamate yield reaches a cumulative 88 %, with catalysts Rh/Al2O3 and La(OTf)3 being recyclable at each stage. Insecticidal activity assessments reveal that the furfural carbamate exhibits competitive performance, achieving an LC50 of 254.22 μg/cm2, compared to 251.25 μg/cm2 for carbofuran. Ecotoxicity predictions indicate significantly lower toxicity levels toward non‐target aquatic and terrestrial species. The importance of the low octanol‐water partition coefficient of the biobased carbamate, attributed to the oxygen heteroatom and electron density of the furan ring, is discussed in detail. Building on these promising results, the synthesis strategy was extended to six other biobased aldehydes, resulting in a diverse portfolio of biomass‐derived carbamates. A techno‐economic analysis reveals a minimum selling price of 11.1 $/kg, only half that of comparable carbamates, demonstrating the economic viability of these new biobased insecticides.