bluuebunny/crossref_metadata_2025_split huggingface dataset:
Diazulenorubicene as a Non‐benzenoid Isomer of peri‐Tetracene with Two Sets of 5/7/5 Membered Rings Showing Good Semiconducting Properties
Authors: Qin Liyuan , Huang Yan‐Ying , Wu Botao , Pan Jinliang , Yang Junfang , Zhang Jing , Han Guangchao , Yang Suyu , Chen Liangliang , Yin Zheng , Shu Yilin , Jiang Lang , Yi Yuanping , Peng Qian , Zhou Xiong , Li Cheng , Zhang Guanxin , Zhang Xi‐Sha , Wu Kai , Zhang Deqing 
Published: June 2023

AbstractNon‐benzenoid polycyclic aromatic hydrocarbons (PAHs) have received a lot of attention because of their unique optical, electronic, and magnetic properties, but their synthesis remains challenging. Herein, we report a non‐benzenoid isomer of peri‐tetracene, diazulenorubicene (DAR), with two sets of 5/7/5 membered rings synthesized by a (3+2) annulation reaction. Compared with the precursor containing only 5/7 membered rings, the newly formed five membered rings switch the aromaticity of the original heptagon/pentagon from antiaromatic/aromatic to non‐aromatic/antiaromatic respectively, modify the intermolecular packing modes, and lower the LUMO levels. Notably, compound 2 b (DAR‐TMS) shows p‐type semiconducting properties with a hole mobility up to 1.27 cm2 V−1 s−1. Moreover, further extension to larger non‐benzenoid PAHs with 19 rings was achieved through on‐surface chemistry from the DAR derivative with one alkynyl group.
Borane‐Catalyzed Tandem Cyclization/Hydrosilylation Towards Enantio‐ and Diastereoselective Construction of trans‐2,3‐Disubstituted‐1,2,3,4‐Tetrahydroquinoxalines
Authors: Luo Zhenli , Li Zhewei , Zhao Haoqiang , Yang Ji , Xu Lijin , Lei Ming , Fan Qinghua , Walsh Patrick J. 
Published: June 2023

AbstractRecent years have witnessed marked progress in the efficient synthesis of various enantioenriched 1,2,3,4‐tetrahydroquinoxalines. However, enantio‐ and diastereoselective access to trans‐2,3‐disubstituted 1,2,3,4‐tetrahydroquinoxalines remains much less explored. Herein we report that a frustrated Lewis pair‐based catalyst generated via in situ hydroboration of 2‐vinylnaphthalene with HB(C6F5)2 allows for the one‐pot tandem cyclization/hydrosilylation of 1,2‐diaminobenzenes and 1,2‐diketones with commercially available PhSiH3 to exclusively afford trans‐2,3‐disubstituted 1,2,3,4‐tetrahydroquinoxalines in high yields with excellent diastereoselectivities (>20 : 1 dr). Furthermore, this reaction can be rendered asymmetric by using an enantioenriched borane‐based catalyst derived from HB(C6F5)2 and a binaphthyl‐based chiral diene to give rise to enantioenriched trans‐2,3‐disubstituted 1,2,3,4‐tetrahydroquinoxalines in high yields with almost complete diastereo‐ and enantiocontrol (>20 : 1 dr, up to >99 % ee). A wide substrate scope, good tolerance of diverse functionality and up to 20‐gram scale production are demonstrated. The enantio‐ and diastereocontrol are achieved by the judicious choice of borane catalyst and hydrosilane. The catalytic pathway and the origin of the excellent stereoselectivity are elucidated by mechanistic experiments and DFT calculations.
Synthetic Peptide Antibodies as TNF‐α Inhibitors: Molecularly Imprinted Polymer Nanogels Neutralize the Inflammatory Activity of TNF‐α in THP‐1 Derived Macrophages
Authors: Herrera León Claudia , Kalacas Noel Angelo , Mier Alejandra , Sakhaii Peyman , Merlier Franck , Prost Elise , Maffucci Irene , Montagna Valentina , Mora‐Radó Helena , Dhal Pradeep K. , Tse Sum Bui Bernadette , Haupt Karsten 
Published: June 2023

AbstractTumor Necrosis Factor‐α (TNF‐α) is a cytokine that is normally produced by immune cells when fighting an infection. But, when too much TNF‐α is produced as in autoimmune diseases, this leads to unwanted and persistent inflammation. Anti‐TNF‐α monoclonal antibodies have revolutionized the therapy of these disorders by blocking TNF‐α and preventing its binding to TNF‐α receptors, thus suppressing the inflammation. Herein, we propose an alternative in the form of molecularly imprinted polymer nanogels (MIP‐NGs). MIP‐NGs are synthetic antibodies obtained by nanomoulding the 3‐dimensional shape and chemical functionalities of a desired target in a synthetic polymer. Using an in‐house developed in silico rational approach, epitope peptides of TNF‐α were generated and ‘synthetic peptide antibodies’ were prepared. The resultant MIP‐NGs bind the template peptide and recombinant TNF‐α with high affinity and selectivity, and can block the binding of TNF‐α to its receptor. Consequently they were applied to neutralize pro‐inflammatory TNF‐α in the supernatant of human THP‐1 macrophages, leading to a downregulation of the secretion of pro‐inflammatory cytokines. Our results suggest that MIP‐NGs, which are thermally and biochemically more stable and easier to manufacture than antibodies, and cost‐effective, are very promising as next generation TNF‐α inhibitors for the treatment of inflammatory diseases.
Circumpentacene with Open‐Shell Singlet Diradical Character
Authors: Jiang Qing , Wei Haipeng , Hou Xudong , Chi Chunyan 
Published: June 2023

AbstractCircumacenes (CAs) are a distinctive type of benzenoid polycyclic aromatic hydrocarbons where an acene unit is completely enclosed by a layer of outer fused benzene rings. Despite their unique structures, the synthesis of CAs is challenging, and until recently, the largest CA molecule synthesized was circumanthracene. In this study, we report the successful synthesis of an extended circumpentacene derivative 1, which represents the largest CA molecule synthesized to date. Its structure was confirmed by X‐ray crystallographic analysis and its electronic properties were systematically investigated by both experiments and theoretical calculations. It shows a unique open‐shell diradical character due to the existence of extended zigzag edges, with a moderate diradical character index (y0=39.7 %) and a small singlet‐triplet energy gap (ΔES‐T=−4.47 kcal/mol). It exhibits a dominant local aromatic character with π‐electrons delocalized in the individual aromatic sextet rings. It has a small HOMO–LUMO energy gap and displays amphoteric redox behavior. The electronic structures of its dication and dianion can be considered as doubly charged structures in which two coronene units are fused with a central aromatic benzene ring. This study provides a new route toward stable multizigzag‐edged graphene‐like molecules with open‐shell di/polyradical character.
Bis(1‐Methyl‐ortho‐Carboranyl)Borane
Authors: Akram Manjur O. , Tidwell John R. , Dutton Jason L. , Martin Caleb D. 
Published: June 2023

AbstractThe Lewis superacid, bis(1‐methyl‐ortho‐carboranyl)borane, is rapidly accessed in two steps. It is a very effective hydroboration reagent capable of B−H addition to alkenes, alkynes, and cyclopropanes. To date, this is the first identified Lewis superacidic secondary borane and most reactive neutral hydroboration reagent.
Electron Donor Coordinated Metal‐Organic Framework to Enhance Photoelectrochemical Performance
Authors: Kong Weisu , Zhu Da , Zhang Yong , Luo Rengan , Ma Jing , Lei Jianping , Ju Huangxian 
Published: June 2023

AbstractTo enhance photoelectrochemical (PEC) performance, additional electron donor/acceptor is generally required to inhibit the electron‐hole recombination. However, the enhancement is limited due to the long‐distance diffusion. Herein a self‐supplying electron strategy is designed for PEC enhancement by coordinating an electron donor 1.4‐diazabicyclo[2.2.2]octane (Dabco) in metal–organic framework (MOF). The intrareticular photoelectron transfer mechanism in mixed‐ligand MOF (m‐MOF) is experimentally revealed and verified by density functional theory calculations. The presence of Dabco efficiently inhibits the electron‐hole recombination due to the self‐supplying electrons and longer electron lifetime in the framework, and thus leads to 23.2‐fold enhancement of photocurrent. As proof of concept, a simple PEC method is constructed with the designed m‐MOF to demonstrate its application in sensitive bioanalysis. This work provides a new avenue for improving the PEC performance of nanomaterials.
Comparative digital reconstruction of Pica pica and Struthio camelus and their cranial suture ontogenies
Authors: Plateau Olivia , Green Todd L. , Gignac Paul M. , Foth Christian 
Published: June 2023

AbstractTo date, several studies describe post‐hatching ontogenetic variation in birds; however, none of these studies document and compare ontogenetic variation of the entire skull in multiple avian species. Therefore, we studied ontogenetic skull variation of two bird species with very different ecologies, Pica pica, and Struthio camelus, using μCT based 3D reconstructions. For each specimen, we performed bone‐by‐bone segmentation in order to visualize and describe the morphological variation of each bone during ontogeny and estimated the average sutural closure of the skulls to identify different ontogenetic stages. Although bone fusion of P. pica occurs more rapidly than that of S. camelus the general sequence of bone fusion follows a similar trend from posterior to anterior, but a more detailed analysis reveals some interspecific variation in the fusion patterns. Although growth persists over a longer period in S. camelus than in P. pica and adults of the former species are significantly larger, the skull of the most mature S. camelus is still less fused than that of P. pica. Different growth and fusion patterns of the two species indicate that the interspecific ontogenetic variation could be related to heterochronic developments. Nevertheless, this hypothesis needs to be tested in a broader phylogenetic framework in order to detect the evolutionary direction of the potential heterochronic transformations.
Craniogenetic studies in Sus scrofa: With emphasis on the ‘orbitosphenoid’ problem
Authors: Maier Wolfgang , Lächele Ulla , Ruf Irina 
Published: June 2023

AbstractThe orbitosphenoid is a skeletal element of the endocranium of extant mammals. However, it has also been described in many of their fossil ancestors. Craniogenetic studies show that it is composed of two types of bone: first, the cartilaginous ala orbitalis and parts of the trabecular plate are transformed by endochondral ossification; second, so‐called ‘appositional bone’ (‘Zuwachsknochen’) arises directly from the perichondrium of the two optic pilae and spreads in all directions and overlays the remaining cartilage and the endochondral ossifications. For some time, both bone types can be distinguished microscopically, but later in craniogenesis they fuse completely to become the presphenoid sensu lato of the osteocranium. We interpret the ‘appositional bone’ as neomorphic mode to reinforce the endocranial bone structures, which are the ossification of the delicate cartilaginous template of the chondrocranium. We studied the ossifications of the presphenoidal skull region in a series of ontogenetic stages of the pig Sus scrofa. We applied conventional histology as well as stained and unstained μCT scans. We can show the above‐mentioned modes of ossification, and we can demonstrate the contribution of ‘appositional bone’ well into neonatal and infantile stages. The ossifications of the presphenoid (including the orbitosphenoid) are very slender in therapsids and early mammaliaforms as previously described by other authors. In mammaliaforms, they tend to become thicker and closely connected with the frontal bone, which may be due to the contribution of neomorphic appositional bone. We assume that thereby the presphenoid sensu lato becomes an enforcement of the orbital pillars.
Performance of a new family of modular, bed‐supported, chromatography devices
Authors: Platteau Gerald , Stroehlein Guido , Alstine James Van , Nagaya Masayoshi 
Published: June 2023

AbstractPrepacked chromatography columns and cassette filtration units offer many advantages in bioprocessing. These include reduced labor costs and processing times, ease of storage, and enhanced process flexibility. Rectangular formats are particularly attractive as they can be easily stacked and multiplexed together for continuous processing. Cylindrical chromatography beds have dominated bioprocessing even though their bed support and pressure‐flow performance vary with bed dimensions. This work presents the performance of novel, rhombohedral chromatography devices with internally supported beds. They are compatible with existing chromatography workstations and can be packed with any standard commercial resin. The devices offer pressure‐flow characteristics independent of container‐volume, simple multiplexing, and separation performance comparable to cylindrical columns. Their bi‐planar, internal bed support allows mechanically less‐rigid resins to be used at up to four times higher maximal linear velocities, and productivities approaching 200 g/L/h for affinity resins, compared to the 20 g/L/h typical of many column‐based devices. Three 5 L devices should allow processing of up to 3 kg of monoclonal antibody per hour.
Protection of biomanufacturing processes from virus contamination through upstream virus filtration of cell culture media
Authors: Wieser Andreas , Modrof Jens , Kreil Thomas R. 
Published: June 2023

AbstractCell‐based manufacturing processes have occasionally been exposed to adventitious viruses, leading to manufacturing interruptions and unstable supply situations. The rapid progress of advanced therapy medicinal products needs innovative approaches to avoid any unwelcome reminder of the universal presence of viruses. Here, we investigated upstream virus filtration as a clearance step for any product too complex for downstream interventions. Culture media virus filtration was investigated with respect to virus clearance capacities under extreme conditions such as high process feed loading (up to ~19,000 L/m²), long duration (up to 34 days), and multiple process interruptions (up to 21 h). The small nonenveloped Minute virus of mice was used as relevant target virus, and as worse‐case challenge for the investigated virus filters with a stipulated pore‐size of about 20 nm. Certain filters—especially of the newer second generation—were capable of effective virus clearance despite the harsh regimen they were subjected to. The biochemical parameters for un‐spiked control runs showed the filters to have no measurable impact on the composition of the culture media. Based on these findings, this technology seems to be quite feasible for large volume premanufacturing process culture media preparations.
Preparation of amentoflavone‐loaded DSPE‐PEG2000 micelles with improved bioavailability and in vitro antitumor efficacy
Authors: Feng Yuan , Wang Jin , Zhang Shuaishuai , Li Yanan , Wang Boxin , Zhang Jiayuan , Qiu Yingzhe , Zhang Yi , Zhang Yuanyuan 
Published: June 2023

AbstractTo overcome the poor aqueous solubility and enhance the anticancer effects of amentoflavone (AF), a nontoxic and biodegradable amphiphilic copolymer, poly(ethyleneglycol)‐distearoylphosphatidylethanolamine (DSPE‐PEG2000), was introduced to prepare AF micelles using the thin‐film hydration method. Amentoflavone was successfully encapsulated into the core, achieving an encapsulation efficiency of 98.80 ± 0.24% and a drug loading efficiency of 2.96 ± 0.12%. The resulting micelles exhibited a spherical shape with a particle size of approximately 25.99 nm. The solubility of AF was significant improved by 412‐fold, and cumulative drug release studies showed that AF release was much faster from the micelles compared with the free drug. The release of AF was sustained over time and followed a degradation‐based kinetic model, similar to polymeric systems. After oral administration, the AF‐loaded micelles demonstrated an enhanced oral bioavailability, which was 3.79 times higher than that of free AF. In vitro evaluations of the micelles’ antitumor effects revealed a significantly greater efficacy compared with free AF. These findings highlight the tremendous potential of DSPE‐PEG2000 micelles as a drug delivery carrier for improving the solubility and therapeutic efficacy of AF.
The competition between private label and national brand through the signal of Euro‐leaf
Authors: Schena Rosamartina , Morrone Domenico , Russo Angeloantonio 
Published: June 2023

AbstractThe current study aims to determine the effect on consumer behaviour when an ecological signal, such as an eco‐label, is provided on various food packaging. In particular, this work aims to understand the strategic role of the eco‐label as a brand equity by introducing a new theoretical model of eco‐brand equity from a consumer perspective. Through a sample of 1.075 Italian consumers, their behaviour and preferences are modelled for 10 types of food using the presence of the brand and the private label with and without the eco‐label as control conditions. In particular, the eco‐label reflects some specific attributes of a brand, for example, loyalty, quality, reputation and association, demonstrating its brand equity. The findings support the hypothesis that the eco‐label has a brand value capable of reducing information asymmetries, increasing confidence and credibility in the agri‐food market. From a theoretical perspective, this research identifies the eco‐label as extrinsic signals able to affect consumers' behaviour. Moreover, the findings of this study present practical implications supporting the process towards more sustainable systems in the food sector.
Seeing the data for the trees: Assessing the data maturity and readiness of a UK forestry company
Authors: Martí‐Rosselló Teresa , Duncan Andrew J. , Bowditch Euan 
Published: June 2023

AbstractA large UK forestry company has been used as the case study to assess the organisational aspects that hinder forestry organisations from reaching data maturity and becoming data driven. This study focuses on the organisational aspects of dealing with data, as they are often disregarded in favour of dealing only with the technical aspects. The barriers to reaching data maturity have been assessed by means of an online survey distributed across the company. Additionally, the study explores how willing the company is to make changes towards becoming more data driven, assess the data capabilities of the company, identify which benefits of harnessing data are viewed more positively and to estimate the data maturity level of the organisation. The results showed that the company case study was in the early‐mid stages of data maturity with significant opportunity for improvement. The main barriers identified were cultural, along with some other organisational barriers related to data roles and data strategy. Improving the data maturity of the organisation case study consisted of increasing data‐skills, prioritising data‐driven decision making at management level and finally elaborating an organisation‐wide data strategy.
Sustainable business models and conflict indices for sustainable decision‐making: An application to decommissioning versus reusing offshore gas platforms
Authors: Zagonari Fabio 
Published: June 2023

AbstractThis paper combines theoretical sustainable business models and conflict indices in making practical sustainable (i.e., participatory decisions involving economic, social, and environmental features within weak or strong sustainability paradigms) and rational (i.e., informed and consistent decisions within substantive or instrumental rationality) decisions with respect to what, who, where, when, and how to act. The case study, focused on an offshore gas platform, identified when (i.e., the end as opposed to the beginning of extraction activities) and where (i.e., the economic, social, and environmental contexts of the Adriatic Sea in Abruzzo region, Italy). A face‐to‐face questionnaire, submitted to stakeholders, produced the relative weights required by the tested sustainable business models (Lüdeke‐Freund et al., 2018), and it reached a conclusion about how (i.e., in favor of the majority as opposed to average decisions). An application of a linear conflict index (Fasth et al., 2018) highlighted a lack of stakeholders' representativeness and knowledge and solved these issues with a 50% increase of stakeholders involved and an additional discussion with originally invited stakeholders on specific topics, respectively. In summary, the methodology suggested in this paper produced a (strong) sustainable and (substantive) rational decision about what and who based on relative weights expressed by representative and informed stakeholders being engaged at the smallest cost and with the largest support. Thus, the contribution of this paper is twofold: Theoretically, choices among alternative sustainable businesses depend on the adopted sustainability paradigm, and practically, choices among alternative sustainable businesses should be identified according to the adopted sustainability paradigm.
Differential risk of 23 site‐specific incident cancers and cancer‐related mortality among patients with metabolic dysfunction‐associated fatty liver disease: a population‐based cohort study with 9.7 million Korean subjects
Authors: Chung Goh Eun , Yu Su Jong , Yoo Jeong‐Ju , Cho Yuri , Lee Kyu‐na , Shin Dong Wook , Kim Yoon Jun , Yoon Jung‐Hwan , Han Kyungdo , Cho Eun Ju 
Published: June 2023

AbstractIntroductionAlthough an association between metabolic dysfunction‐associated fatty liver disease (MAFLD) and cardiovascular disease or overall mortality has been reported, it is unclear whether there is an association between MAFLD and cancer incidence or mortality. We aimed to investigate the differential risk of all‐ and site‐specific cancer incidence and mortality according to MAFLD subgroups categorized by additional etiologies of liver disease.MethodsUsing the Korean National Health Insurance Service database, we stratified the participants into three groups: (1) single‐etiology MAFLD (S‐MAFLD) or MAFLD of pure metabolic origin; (2) mixed‐etiology MAFLD (M‐MAFLD) or MAFLD with additional etiological factor(s) (i.e., concomitant liver diseases and/or heavy alcohol consumption); and (3) non‐MAFLD. Hepatic steatosis and fibrosis were defined using the fatty liver index and the BARD score, respectively. Cox proportional hazards regression was performed to estimate the risk of cancer events.ResultsAmong the 9,718,182 participants, the prevalence of S‐MAFLD and M‐MAFLD was 29.2% and 6.7%, respectively. During the median 8.3 years of follow‐up, 510,330 (5.3%) individuals were newly diagnosed with cancer, and 122,774 (1.3%) cancer‐related deaths occurred among the entire cohort. Compared with the non‐MAFLD group, the risk of all‐cancer incidence and mortality was slightly higher among patients in the S‐MAFLD group (incidence, adjusted hazard ratio [aHR] = 1.03; 95% confidence interval [CI]: 1.02−1.04; mortality, aHR = 1.06; 95% CI: 1.04−1.08) and highest among patients with M‐MAFLD group (incidence, aHR = 1.31; 95% CI: 1.29−1.32; mortality, aHR = 1.45; 95% CI: 1.42−1.48, respectively). The M‐MAFLD with fibrosis group (BARD score ≥ 2) showed the highest relative risk of all‐cancer incidence (aHR = 1.38, 95% CI = 1.36–1.39), followed by the M‐MAFLD without fibrosis group (aHR = 1.09, 95% CI = 1.06–1.11). Similar trends were observed for cancer‐related mortality.ConclusionsMAFLD classification, by applying additional etiologies other than pure metabolic origin, can be used to identify a subgroup of patients with poor cancer‐related outcomes.