bluuebunny/crossref_metadata_2025_split huggingface dataset:
Verstärkung von chiroptischen Eigenschaften in helikalen Nanographenen durch geometrische Anpassung von Doppel‐[7]Helicenen
Authors: Niu Wenhui , Fu Yubin , Deng Qingsong , Qiu Zhen‐Lin , Liu Fupin , Popov Alexey A. , Komber Hartmut , Ma Ji , Feng Xinliang 
Published: February 2024

AbstractHelikale Nanographene (NG) mit hohen Quantenausbeuten und starken chiroptischen Antworten sind entscheidend für die Entwicklung von lumineszenten Materialien mit zirkularer Polarisation (engl. circular polarized luminescence, CPL). Hier berichten wir von der erfolgreichen Synthese neuartiger π‐erweiterter Doppel‐[7]Helicene (ED7Hs), bei denen sich zwei Helicen‐Einheiten meta bzw. para am zentralen Benzenring befinden. Sie sind damit strukturelle Isomere des bekannten ortho‐ED7H. Die strukturelle Integrität und Geometrie der ED7Hs wurde eindeutig durch Röntgen‐Einkristalldiffraktometrie aufgeklärt. Die ED7Hs besitzen eine ausgeprägte Fluoreszenz mit Quantenausbeuten über 40 %. Durch Variation der relativen Positionen der Doppel‐[7]Helicene am zentralen Benzenring (ortho, meta, para) kann eine außergewöhnliche Verstärkung der chiroptischen Eigenschaften registriert werden. Diese Verbesserung zeigt sich in einem etwa fünffachen Anstieg der Absorbanz und Lumineszenz‐Dissymmetriefaktoren (gabs und glum) sowie einer erhöhten CPL‐Helligkeit von bis zu 176 M−1 cm−1, was die Leistung der meisten helicenbasierten chiralen NGs übertrifft. Des weiteren zeigen DFT‐Simulationen, dass die relative geometrische Lage der [7]Helicene eine präzise Anpassung der elektrischen und magnetischen Übergangsdipolmomente zur Folge hat, welche die beobachteten Verstärkungen der chiroptischen Eigenschaften erklären. Diese Studie liefert eine effektive Strategie zur Verstärkung der CPL‐Eigenschaften chiraler Nanographene, welche ihre Anwendbarkeit als CPL‐Emitter verbessert.
Zwei Sesterterpen‐Syntasen aus Lentzea atacamensis demonstrieren die Rolle der Konformationsvariabilität in der Terpenbiosynthese
Authors: Gu Binbin , Goldfuss Bernd , Dickschat Jeroen S. 
Published: February 2024

AbstractStudien an zwei Multiprodukt‐Sesterterpensynthasen aus Lentzea atacamensis führten zur Identifizierung der Synthasen für Lentzeadien (LaLDS) und Atacamatrien (LaATS). Das Hauptprodukt von LaLDS (Lentzeadien) ist eine neue Verbindung, während eines der Nebenprodukte (Lentzeatetraen) das Enantiomer von Brassitetraen B ist und ein anderes Nebenprodukt (Sestermobaraen F) von einer überraschend weit entfernt verwandten Sesterterpensynthase bekannt ist. LaATS stellt sechs neue Verbindungen her, darunter das Enantiomer des bekannten Sesterterpens Bm1. Bemerkenswert ist, dass die Produkte beider Enzyme nicht alle aus ein und derselben Ausgangskonformation von Geranylfarnesyldiphosphat erklärt werden können, was die Notwendigkeit einer Konformationsflexibilität des Substrats in den aktiven Zentren der Enzyme zeigt. Für Lentzeadien wurde eine faszinierende thermische [1,5]‐sigmatrope Umlagerung entdeckt, die an die Biosynthese von Vitamin D3 erinnert. Alle Enzymreaktionen und die [1,5]‐sigmatrope Umlagerung wurden durch Isotopenmarkierungsexperimente und DFT‐Berechnungen untersucht. Die Ergebnisse unterstreichen auch die Bedeutung von Konformationsänderungen während Terpencyclisierungen.
Enhancing Chiroptical Responses in Helical Nanographenes via Geometric Engineering of Double [7]Helicenes
Authors: Niu Wenhui , Fu Yubin , Deng Qingsong , Qiu Zhen‐Lin , Liu Fupin , Popov Alexey A. , Komber Hartmut , Ma Ji , Feng Xinliang 
Published: February 2024

AbstractHelical nanographenes with high quantum yields and strong chiroptical responses are pivotal for developing circularly polarized luminescence (CPL) materials. Here, we present the successful synthesis of novel π‐extended double [7]helicenes (ED7Hs) where two helicene units are fused at the meta‐ or para‐position of the middle benzene ring, respectively, as the structural isomers of the reported ortho‐fused ED7H. The structural geometry of these ED7Hs is clearly characterized by single‐crystal X‐ray analysis. Notably, this class of ED7Hs exhibits bright luminescence with high quantum yields exceeding 40 %. Through geometric regulation of two embedded [7]helicene units from ortho‐, meta‐ to para‐position, these ED7Hs display exceptional amplification in chiroptical responses. This enhancement is evident in a remarkable approximate fivefold increase in the absorbance and luminescence dissymmetry factors (gabs and glum), respectively, along with a boosted CPL brightness up to 176 M−1 cm−1, surpassing the performance of most helicene‐based chiral NGs. Furthermore, DFT calculations elucidate that the geometric adjustment of two [7]helicene units allows the precise alignment of electric and magnetic transition dipole moments, leading to the observed enhancement of their chiroptical responses. This study offers an effective strategy for magnifying the CPL performance in chiral NGs, promoting their expanded application as CPL emitters.
Two Sesterterpene Synthases from Lentzea atacamensis Demonstrate the Role of Conformational Variability in Terpene Biosynthesis
Authors: Gu Binbin , Goldfuss Bernd , Dickschat Jeroen S. 
Published: February 2024

AbstractMining of two multiproduct sesterterpene synthases from Lentzea atacamensis resulted in the identification of the synthases for lentzeadiene (LaLDS) and atacamatriene (LaATS). The main product of LaLDS (lentzeadiene) is a new compound, while one of the side products (lentzeatetraene) is the enantiomer of brassitetraene B and the other side product (sestermobaraene F) is known from a surprisingly distantly related sesterterpene synthase. LaATS produces six new compounds, one of which is the enantiomer of the known sesterterpene Bm1. Notably, for both enzymes the products cannot all be explained from one and the same starting conformation of geranylfarnesyl diphosphate, demonstrating the requirement of conformational flexibility of the substrate in the enzymes’ active sites. For lentzeadiene an intriguing thermal [1,5]‐sigmatropic rearrangement was discovered, reminiscent of the biosynthesis of vitamin D3. All enzyme reactions and the [1,5]‐sigmatropic rearrangement were investigated through isotopic labeling experiments and DFT calculations. The results also emphasize the importance of conformational changes during terpene cyclizations.
Complexation behavior of copper and zinc divalent ions towards diisatin malonyl dihydrazone ligand with biological and catalytic assessments
Authors: Adam Mohamed Shaker S. , Alghanim Alhanoof S. I. , Abualreish Mustafa J. Abdelmageed , Taha Amel , Mohamad Ahmed D. M. 
Published: February 2024

According to the interesting reactivity of arylhydrazones in coordination chemistry and biological assays, malonyl dihydrazone ligand of diisatin derivative (H2Lm) was reacted with Cu2+ and Zn2+ ions forming two complexes of dinuclear homoleptic mode (CuLm and ZnLm, respectively). Demonstration of their chemical structures was confirmed through various spectroscopic ways alongside the elemental analyses (EA), conductivity measurements, and magnetic characteristics.Their bio‐performance was recorded based on their inhibited potential of the growing ability of some common bacteria, fungi, and human cancer/normal cell lines. The biological studies appointed the role and job of M2+ ion = Cu2+ or Zn2+ in its chelated MLm complex to perform the bio‐reactivity over the free ligand, H2Lm. Moreover, their interacted modes with ctDNA (i.e., calf thymus DNA) were examined via the viscometry and spectrophotometric titration. Because the two chelates (CuLm and ZnLm) represented an attractive job for the inhibited action against the current microorganisms and the human cancer/normal strains' growth over the free H2Lm ligand, CuLm and ZnLm complexes displayed a distinguished interaction with ctDNA more than that of their uncoordinated H2Lm ligand. From the values of binding constant (Kb) and Gibb's free energy (
), CuLm assigned more bio‐action within ctDNA more than ZnLm H2Lm ligand, referring to the role of Cu2+ ion with more electronegativity to enhance the reactivity of CuLm over their free H2Lm ligand and ZnLm.The catalytic behavior of CuLm and ZnLm was given within the epoxidation of 1,2‐cyclohexene (an example of unsaturated hydrocarbons) homogeneously using hydrogen peroxide (the oxidant). Their catalytic action was optimized through various temperatures, solvents, time, and type of M2+ ion in the catalyst.
Cu2O nanocubes as gas sensing elements for food packaging applications
Authors: Gagaoudakis Emmanouil , Sfakianou Angelliki , Mantsiou Eleni , Binas Vassilios 
Published: February 2024

AbstractIntelligent packaging has attracted research interest during the last decades. More specifically, food packaging is of great importance due to the utmost need to monitor and maintain food quality until consumption. Thus, there is a high demand for sensors capable of detecting gases such as CO2, emitted by packaged meat or chicken which serve as freshness indicators. In the present work, a sensor based on Cu2O nanocubes was fabricated and tested against CO2 at room temperature. Cu2O nanocubes were synthesized by solution‐based methods and deposited on commercial interdigitated electrodes. Specifically, the Cu2O‐based sensor successfully detected down to 5% CO2 (50,000 ppm) in the ambient atmosphere, at room temperature, with a response time of less than 90 s. This level of CO2 is in the range that indicates the unsuitability of packaged meat for consumption. Furthermore, the sensor was able to maintain its response to CO2 after being stored in the fridge for 20 days, showcasing its endurance under food maintenance conditions.
Trophic niche patterns of endangered Sandelia bainsii and Amatolacypris trevelyani in the Eastern Cape, South Africa: Insights from stable isotope analysis
Authors: Kadye Wilbert T. , Nkomo Thulisile , Kambikambi Manda J. , Chakona Albert 
Published: February 2024

Abstract
Despite supporting a disproportionately large fraction of the global biodiversity, freshwater ecosystems are ranked as the most highly threatened habitats ahead of both terrestrial and marine ecosystems. Furthermore, many regions are still characterized by limited knowledge on taxonomy and ecology of freshwater fishes. The need for ecological information in understudied regions is important particularly where there are recent discoveries of new species and unique lineages and for threatened and endangered taxa that require conservation management.
This study evaluated the trophic ecology of two freshwater fish species Sandelia bainsii and Amatolacypris trevelyani that are both classified as endangered in the International Union for Conservation of Nature (IUCN) Red List. These two species, which are narrow‐range endemics in the Eastern Cape, South Africa, comprise allopatric lineages whose ecology is poorly known. This study used stable isotope analysis to evaluate the food web patterns, explore the trophic niche dynamics and estimate the prey source contributions for the two species in different headwater habitats.
The fishes isotopic niche sizes were spatially variable, suggesting the likely importance of stochastic variation in resource availability and probable interspecific interactions. The three lineages within S. bainsii exhibited low isotopic niche overlap onto those of sympatric fishes in most habitats. Isotopic mixing model revealed that these lineages' diets were mostly dominated by gatherers/collectors. In comparison, the two lineages within A. trevelyani exhibited high niche overlap with other species and generally had variable diets.
Despite the low and high niche overlap patterns of S. bainsii and A. trevelyani, respectively, the isotopic niche overlap patterns of co‐occurring species onto those of the former suggest the likely lack of competitive hierarchies. The trophic niche patterns of these two endangered species helped to shed some light on the potential invasion risks by non‐piscivorous fishes with opportunistic feeding habits, which could exert competitive interspecific interactions.
Student's perspectives of inclusive practices in anatomy education
Authors: Longhurst Georga Jane , Bazira Peter J. , Finn Gabrielle Maria 
Published: February 2024

AbstractThere is a drive to implement inclusive practices in anatomy by adapting curricula and utilizing inclusive language and resources that negate biases. However, to date there is no data regarding student's perception of inclusivity. Therefore, the study aims to investigate anatomy student's opinions on inclusive practices in anatomy education based on the protected characteristics of age, disability, ethnicity, gender affirmation and sex. One hundred and forty‐five students completed a questionnaire with 21 Likert‐scale and two open‐ended questions. Kruskal–Wallis tests compared responses by groups defined by the protected characteristics of the Equality Act (2010). Most students (71.2%; n = 84) agreed or strongly agreed that “improving inclusivity in anatomy education should be educator's priority”. In terms of representation, there was a statistically different response rate from students from different ethnic backgrounds to the statements “there are anatomy educators” (p < 0.001), “images in textbooks” (p < 0.001) and “models in the dissection room” (p < 0.001) “that look like me”. Most students agreed or strongly agreed to statements relating to the protected characteristics of age (70.4%; n = 68), disability (78.6%; n = 77), ethnicity (59.8%; n = 64), gender affirmation (46.3%; n = 46) and sex (51.5%; n = 62). Themes identified relating to improving inclusivity included “reflecting reality”, “teaching the truth”, “the invisibility of women” and the “learning environment”. Students have confirmed that anatomists, as gatekeepers of the knowledge of the human body, should foster inclusive teaching practices that will benefit all students and potentially future patient care.
Distributed maximum correntropy unscented Kalman filter under hybrid attacks in non‐Gaussian environment
Authors: Liu Ting , Ma Haiping , Huang Jiyuan , Yu Mei , Du Dajun 
Published: February 2024

AbstractThis paper addresses a distributed nonlinear filtering issue based on maximum correntropy for dealing with randomly occurring hybrid cyber‐attacks in non‐Gaussian environment. The types of cyber‐attacks include denial of service attacks and deception attacks. First, a modified distributed unscented Kalman filter is proposed, using Cauchy kernel‐based maximum correntropy criterion instead of the traditional mean square error criterion, against cyber‐attacks and non‐Gaussian noise. Then based on fixed‐point iterative rules and information fusion strategy, the update equations of state estimates and covariance matrices of the proposed filter are obtained. Furthermore, the sufficient condition guaranteeing its convergence and computational complexity are also given. Finally, an illustrative example is presented to verify the effectiveness of the proposed filter under hybrid cyber‐attacks in non‐Gaussian environment.
Bayesian cell therapy process optimization
Authors: Claes Evan , Heck Tommy , Coddens Kathleen , Sonnaert Maarten , Schrooten Jan , Verwaeren Jan 
Published: February 2024

AbstractOptimizing complex bioprocesses poses a significant challenge in several fields, particularly in cell therapy manufacturing. The development of customized, closed, and automated processes is crucial for their industrial translation and for addressing large patient populations at a sustainable price. Limited understanding of the underlying biological mechanisms, coupled with highly resource‐intensive experimentation, are two contributing factors that make the development of these next‐generation processes challenging. Bayesian optimization (BO) is an iterative experimental design methodology that addresses these challenges, but has not been extensively tested in situations that require parallel experimentation with significant experimental variability. In this study, we present an evaluation of noisy, parallel BO for increasing noise levels and parallel batch sizes on two in silico bioprocesses, and compare it to the industry state‐of‐the‐art. As an in vitro showcase, we apply the method to the optimization of a monocyte purification unit operation. The in silico results show that BO significantly outperforms the state‐of‐the‐art, requiring approximately 50% fewer experiments on average. This study highlights the potential of noisy, parallel BO as valuable tool for cell therapy process development and optimization.
The role of business and management in driving the sustainable development goals (SDGs): Current insights and future directions from a systematic review
Authors: Mahajan Ritika , Kumar Satish , Lim Weng Marc , Sareen Monica 
Published: February 2024

AbstractThe pursuit of sustainable development goals (SDGs) extends beyond governmental responsibility, demanding active engagement from businesses and managers. This study systematically reviews SDG‐related research within the fields of business and management to elucidate their roles in advancing this global agenda. By analyzing a corpus of pertinent studies from Scopus and Web of Science through bibliometric–content analysis, this study not only identifies publication trends, prominent contributors, theories, contexts, and methods but also uncovers the evolving roles of businesses and managers in driving the SDGs. The main themes emerging from this analysis include (1) forging sustainable partnerships, practices, and policies, reflecting businesses' role in stakeholder collaboration and policymaking; (2) addressing contemporary sustainability challenges like artificial intelligence and the dynamics of emerging economies; (3) balancing economic advancement with environmental sustainability, highlighting businesses' impact on ecological footprints and the importance of green finance; (4) integrating financial development considerations with ecological responsibility; (5) promoting equity and well‐being, underscoring the influence of businesses and managers on societal welfare; and (6) shaping governance frameworks for sustainable production and consumption. These themes collectively paint a comprehensive picture of how business and management practices are crucial in achieving the SDGs, offering insights into current contributions, and charting potential pathways for future research and implementation.
Digital transformation, ESG practice, and total factor productivity
Authors: Ding Xiangan , Sheng Zhonglin , Appolloni Andrea , Shahzad Mohsin , Han Shaojie 
Published: February 2024

AbstractRecent research provides limited knowledge about how and whether digital transformation related to environmental, social, and governance (ESG) affects the total factor productivity (TFP). To fill the gap, this study explores the impact of digital transformation on TFP based on a fixed‐effect model and the staggered difference‐in‐differences method and reveals that digital transformation can boost corporate TFP. Mechanism analysis reveals that digital transformation promotes ESG performance in companies, thereby affecting TFP. Social performance in ESG plays a mediating effect, while environmental performance plays a suppressing effect. Besides, the primary driver of TFP improvement through digital transformation lies in its direct effect, whereas the indirect effect of ESG factors is relatively limited. Our findings provide new insight into how digital transformation promotes corporate ESG and productivity.
Synthesis and Antiallodynic Activity of Cannabidiol Analogue on Peripheral Neuropathy in Mice
Authors: Marques Gabriel V. L. , Braga Alysson V. , Silva Iara R. , de Souza Adna R. B. , Kohlhoff Markus , César Isabela C. , Machado Renes R. , Oliveira Renata B. 
Published: February 2024

AbstractCannabidiol (CBD) is a substance that exerts several therapeutic actions, including analgesia. CBD is generally administered orally, but its poor water solubility and metabolism impair its bioavailability. Thus, the development of molecules with better pharmacokinetic profile from cannabidiol becomes an interesting strategy for the design of novel analgesic drugs for the relief of painful conditions that are difficult to manage clinically, such as neuropathic pain. In the present study, an unprecedented analogue of CBD (1) was synthesized and some of its physicochemical properties were evaluated in silico as well as its stability in an acid medium. Additionally, its effect was investigated in a model of neuropathic pain induced by the chemotherapy drug paclitaxel in mice, in comparison with cannabidiol itself. Cannabidiol (20 mg/kg), pregabalin (30 mg/kg), or analogue 1 (5, 10, and 20 mg/kg), administered on the 14th day after the first administration of paclitaxel, attenuated the mechanical allodynia of the sensitized animals. The antinociceptive activity of analogue 1 was attenuated by previous administration of a cannabinoid CB1 receptor antagonist, AM 251, which indicates that its mechanism of action is related to the activation of CB1 receptors. In conclusion, the CBD analogue 1 developed in this study shows great potential to be used in the treatment of neuropathic pain.
Synthesis, Kinetics and Computational Explorations of 4‐Phenylpiperazine Bearing N‐(Aryl)‐3‐substituted‐benzamides as Auspicious Tyrosinase Inhibitors
Authors: Zeb Aurang , Abbasi Muhammad Athar , Aziz‐ur‐Rehman  , Siddiqui Sabahat Zahra , Hassan Mubashir , Javed Qamar , Rafiq Muhammad , Ali Anser , Shah Syed Adnan Ali , Kloczkowski Andrzej 
Published: February 2024

AbstractIn the aimed research study, a new series of N‐(aryl)‐3‐[(4‐phenyl‐1‐piperazinyl)methyl]benzamides was synthesized, which was envisaged as tyrosinase inhibitor. The structures of these newly designed molecules were verified by IR, 1H‐NMR, 13C‐NMR, EI‐MS and CHN analysis data. These molecules were screened against tyrosinase and their inhibitory activity explored that these 3‐substituted‐benzamides exhibit good to excellent potential, comparative to the standard. The Kinetics mechanism was investigated through Lineweaver‐Burk plots which depicted that molecules inhibited this enzyme in a competitive mode. Moreover, molecular docking was also performed to determine the binding interaction of all synthesized molecules (ligands) with the active site of tyrosinase enzyme and the results showed that most of the ligands exhibited efficient binding energy values. Therefore, it is anticipated that these molecules might serve as auspicious therapeutic scaffolds for treatment of the tyrosinase associated skin disorders.
Sesquiterpenoids and Cytochalasins with Immunosuppressive Activity from Sonchus wightianus
Authors: Xie Zhi‐Xiang , Cui Yong‐Sheng , Liu Xi‐Hong , Yao Jia‐Ying , He Shi‐Jun , Zhou Bin , Yue Jian‐Min 
Published: February 2024

AbstractThe plant species, Sonchus wightianus DC., was historically used in China for both medicinal and dietary uses. In present study, seven new guaiane sesquiterpenoids (1–7) and one cytochalasin (8), along with five known guaianes (9–13) and two known cytochalasins (14 and 15), were isolated from the whole plants of S. wightianus. These guaianes showed structural variations in the substituents at C‐8 and/or C‐15, and compounds 6 and 7 are two sesquiterpenoid glycoside derivatives. Their structures were determined by extensive analysis of spectroscopic, electronic circular dichroism, and X‐ray diffraction data, and chemical method. Biological tests revealed that compounds 5 and 8 are potent and selective immunosuppressive reagents.