bluuebunny/crossref_metadata_2025_split huggingface dataset:
Combining descriptive and predictive modeling to systematically design depth filtration‐based harvest processes for biologics
Authors: Liu Peter , Hartmann Michael , Shankaran Ajay , Li Hong , Welsh John 
Published: June 2024

AbstractAdvances in upstream production of biologics–particularly intensified fed‐batch processes beyond 10% cell solids–have severely strained harvest operations, especially depth filtration. Bioreactors containing high amounts of cell debris (more than 40% particles <10 µm in diameter) are increasingly common and drive the need for more robust depth filtration processes, while accelerated timelines emphasize the need for predictive tools to accelerate development. Both needs are constrained by the current limited mechanistic understanding of the harvest filter‐feedstream system. Historically, process development relied on screening scale‐down depth filter devices and conditions to define throughput before fouling, indicated by increasing differential pressure and/or particle breakthrough (measured via turbidity). This approach is straightforward, but resource‐intensive, and its results are inherently limited by the variability of the feedstream. Semi‐empirical models have been developed from first principles to describe various mechanisms of filter fouling, that is, pore constriction, pore blocking, and/or surface deposit. Fitting these models to experimental data can assist in identifying the dominant fouling mechanism. Still, this approach sees limited application to guide process development, as it is descriptive, not predictive. To address this gap, we developed a hybrid modeling approach. Leveraging historical bench scale filtration process data, we built a partial least squares regression model to predict particle breakthrough from filter and feedstream attributes, and leveraged the model to demonstrate prediction of filter performance a priori. The fouling models are used to interpret and provide physical meaning to these computational models. This hybrid approach–combining the mechanistic insights of fouling models and the predictive capability of computational models–was used to establish a robust platform strategy for depth filtration of Chinese hamster ovary cell cultures. As new data continues to teach the computational models, in silico tools will become an essential part of harvest process development by enabling prospective experimental design, reducing total experimental load, and accelerating development under strict timelines.
Recent Developments in the Biosynthesis of Aziridines
Authors: Maurer Sabina J. , Petrarca de Albuquerque Joao L. , McCallum Monica E. 
Published: June 2024

AbstractOnly 0.016 % of all known natural products contain an aziridine ring, but this unique structural feature imparts high reactivity and cytotoxicity to the compounds in which it is found. Until 2021, no naturally occurring aziridine‐forming enzymes had been identified. Since 2021, the biosynthetic enzymes for ~10 % of known aziridine containing natural products have been identified and characterized. This article describes the recent advances in our understanding of enzyme‐catalyzed aziridine formation in the context of historical methods for aziridine formation through synthetic chemistry.
An unusual presentation of severe obstructive sleep apnea with nocturnal seizure‐like movements: A case report
Authors: Rahimi Negin , Amirifard Hamed , Jameie Melika 
Published: June 2024

Key Clinical MessageThis study suggests that severe obstructive sleep apnea can present as sleep‐related epileptic or non‐epileptic seizures. A detailed history and physical examination, along with polysomnography and video electroencephalography findings can lead to the correct diagnosis.AbstractObstructive sleep apnea (OSA) is defined by recurrent episodes of the upper airway complete or partial collapse while sleeping. The obstructive episodes result in gradual suffocation that increases breathing attempts till the person is awakened. The main manifestations are excessive daytime sleepiness, snoring, observed episodes of stopped breathing, and abrupt awakenings accompanied by gasping or choking. Nevertheless, there are very few reports of patients with OSA, manifesting other symptoms such as seizure‐like movements. Differentiating OSA with nocturnal seizures could be challenging due to their overlapping features. A 53‐year‐old man presented to the clinic, experiencing seizure‐like involuntary movements during nocturnal sleep for the past 2 years with a frequency of 2–3 times per night. Neurologic examinations were normal. Further evaluation with polysomnography revealed impaired arousal followed by seizure‐like movements during sleep. Video electroencephalography (EEG) did not show any epileptiform discharges, ruling out the nocturnal seizure diagnosis. The patient was diagnosed with OSA. Subsequently, continuous positive airway pressure (CPAP) treatment resolved all symptoms.
Exploring the use of telepractice Dohsa‐hou to adults with intellectual disabilities
Authors: Yamazaki Masayoshi , Takahashi Shinichiro , Tanaka Junichi , Takahashi Makoto 
Published: June 2024

Key Clinical MessageThis study presents the application of an authentic Japanese bodywork approach Dohsa‐hou to adults with intellectual disabilities who live in a care facility. Amid the COVID‐19 pandemic, such people remained disconnected from their families and friends, for which reason many of them experience anxiety, stress and inability to enjoy leisure activities. Given the lockdown circumstances, we decided to use for the first time in the field telepractice to provide Dohsa‐hou. The results showed that participants experienced a gradual positive mood change and also expressed a desire to continue the sessions. Considering this, although further research is still needed, we assume that telepractice Dohsa‐hou might be a viable substitute for the face‐to‐face sessions.
MOF‐derived Ni‐WxC/carbon catalysts: Application to cellulose conversion into glycols
Authors: Boulos Joseph , Goc Firat , Marinova Maya , Perret Noémie , Rataboul Franck , Royer Sébastien , Dhainaut Jérémy 
Published: June 2024

AbstractIn this work, a series of Ni‐WxC/carbon materials have been prepared from a MOF precursor, DUT‐8(Ni), following different tungsten deposition routes. After pyrolysis, nickel‐tungsten alloys and tungsten carbide phases over nitrogen‐doped carbons were obtained. These materials were applied to cellulose hydrogenolysis, where molar yields of up to 46 % in ethylene glycol (EG) and 9 % in propylene glycol (PG) were obtained at 245 °C after 1 hour of reaction time. The best performing catalyst demonstrated promising stability, as the EG yield remained constant over 3 recycling tests and very little nanoparticles sintering was observed.
Hybrid Ethylcellulose Polymeric Films: Ag(I)‐Based Components and Curcumin as Reinforcing Ingredients for Enhanced Food Packaging Properties
Authors: Crispini Alessandra , Aiello Iolinda , Godbert Nicolas , La Deda Massimo , di Maio Giuseppe , Tagarelli Antonio , Elliani Rosangela , De Rose Renata , Scarpelli Francesca 
Published: June 2024

AbstractBio‐active ethylcellulose (EC) polymeric films have been obtained by incorporating curcumin (curc) and Ag(I)‐based compounds, known for their antioxidant and antimicrobial activity, respectively, within the polymeric matrix. The recently reported Ag(I) coordination polymer, in both its structural forms (α‐[(bpy)Ag(OTf)]∞ and β‐{[(bpy)Ag][OTf]}∞), and the [(bpy)Ag(OTf)]∞‐curc polymeric co‐crystal (bpy=2,2′‐bipyridine; OTf=trifluoromethanesulfonate) have been selected as Ag(I) species. The hybrid composite films have been prepared through the simple solvent casting method and characterized through Powder X‐Ray Diffraction (PXRD), Differential Scanning Calorimetry (DSC) and Fourier Transform Infrared (FTIR) spectroscopy, Scanning Electron Microscope (SEM), UV‐vis spectroscopy. The deep investigation of the film samples highlighted the non‐inert behaviour of EC towards these specific active ingredients. Antimicrobial tests showed that EC films embedding the Ag(I)‐based compounds present good antimicrobial performance, in particular against Staphylococcus aureus, used as a model of Gram‐positive bacteria. In addition, Silver migration tests, performed on the Ag(I)‐incorporating EC films, evidenced low values of silver release particularly in the case of the EC films incorporating [(bpy)Ag(OTf)]∞‐curc.
A Photoredox Thiol‐yne Reaction for the Synthesis of Vinyl Sulfide‐Based Coumarins and its Effect on Fluorescence Properties
Authors: Toubia Isabelle , Puteaux Chloé , Weronika Swiderska Karolina , Hubert‐Roux Marie , Renard Pierre‐Yves , Sabot Cyrille 
Published: June 2024

AbstractCoumarins still remain one of the most widely explored fluorescent dyes, with a broad spectrum of applications spanning various fields, such as molecular imaging, bioorganic chemistry, materials chemistry, or medical sciences. Their fluorescence is strongly based on a push‐pull mechanism involving an electron‐donating group (EDG), mainly located at the C7 or C8 positions of the dye core. Unfortunately, up to now, these positions have been very limited to hydroxyl or amino groups. In this study, we present in detail the synthesis of the first series of coumarins bearing a vinyl sulfide as the EDG at the C7 position. These derivatives were prepared by thiol‐yne reaction, promoted by ruthenium‐ or porphyrin‐based photoredox catalysis, enabling rapid late‐stage diversification. We also functionalized coumarins with short peptides, and BSA protein as a proof‐of‐concept study, in a single‐step process. This strategy, capable of proceeding under aqueous conditions, overcomes the protection/deprotection steps usually required by traditional methods, which also use strong bases and organic solvents. Moreover, the photophysical properties such as absorption and emission of obtained coumarins (for 3‐CF3, 3‐benzothiazole, 6–8‐difluoro derivatives), predominantly exhibited large Stokes shifts (up to 204 nm) and maintained intramolecular charge transfer (ICT) characteristics.
Development of Fluorenyl‐Based Copolyimines with Adjustable Mechanical Properties, Recyclability and Friction Resistance
Authors: Wang Haiyue , Huang Qirui , Liu Cai , Hong Wei , Li Jianing , Ma Juanjuan , Yu Ping , Wang Chunyu , Yan Xuzhou 
Published: June 2024

AbstractDynamic polyimines are a class of fascinating dynamic polymers with recyclability and reparability owing to their reversible Schiff‐base reactions. However, balancing the dynamic properties and mechanical strength of dynamic polyimines presents a major challenge due to the dissociative and associative nature of the imine bonds. Herein, we introduced bulky fluorene groups and polyether amine into the skeleton of polyimine networks to achieve a tradeoff in comprehensive properties. The resulting dynamic polyimines with fluorene groups (Cardo‐DPIs) were successfully synthesized by combining the rigid diamine 9,9‐bis(4‐aminophenyl)fluorene and the flexible polyether amine, demonstrating a high tensile strength of 64.7 MPa. Additionally, Cardo‐DPIs films with more content of rigid fluorene groups exhibited higher water resistance, glass transition temperature and wear‐resisting ability. Moreover, the Cardo‐DPIs films not only efficiently underwent thermal reshaping, but also exhibited excellent self‐healing capabilities and chemical degradation in acidic solutions. Furthermore, the resulting films can achieve fully closed‐loop recovery by free amine solution for 2 h at room temperature. This study broadens the scope of dynamic polyimine materials and promotes the balanced development of their functional and mechanical properties.
Highly Active and Selective Fe‐MOF/2D‐Montmorillonite Photocatalyst via in‐situ Preparation for Hydroxylation of Benzene to Phenol
Authors: Xu Xuetong , Jia Xu , Liu Cong , Qiao Jiaolong , Wang Fuying , Zhang Liuxue , Yang Dan , Zhang Yuan , Wang Xiulian 
Published: June 2024

AbstractThe photocatalytic hydroxylation of benzene to phenol is an important reaction for the synthesis of fine chemicals and pharmaceuticals. However, the development of efficient and selective photocatalysts for this reaction remains a challenge. Here, a highly active and selective Fe‐MOF/2D‐montmorillonite (Fe‐MOF/MMT) photocatalyst was prepared via an in‐situ method for the hydroxylation of benzene to phenol under the visible light irradiation. The Fe‐MOF/MMT composite exhibited excellent photocatalytic performance, with phenol yield of 30.3 % and benzene selectivity of 96.5 % within 4 hours. The high activity and selectivity of the Fe‐MOF/MMT photocatalyst were attributed to the synergistic effect between the Fe‐MOF and MMT, as well as the unique 2D structure of MMT, which facilitated charge separation and transfer. The Fe‐MOF/MMT composite also showed good stability and re‐used without significant decrease of activity. This study demonstrated that the potential of Fe‐MOF/MMT as a highly efficient and selective photocatalyst for the hydroxylation of benzene to phenol and provided an insight into the design of advanced photocatalysts for sustainable chemical synthesis.
Implications for the Hydrogenation of Propyne and Propene with Parahydrogen due to the in situ Transformation of Rh2C to Rh0/C
Authors: Pokochueva Ekaterina V. , Kountoupi Evgenia , Janák Marcel , Kuznetsov Denis A. , Prosvirin Igor P. , Müller Christoph R. , Fedorov Alexey , Koptyug Igor V. 
Published: June 2024

AbstractNMR spectroscopy studies using parahydrogen‐induced polarization have previously established the existence of the pairwise hydrogen addition route in the hydrogenation of unsaturated hydrocarbons over heterogeneous catalysts, including those based on rhodium (Rh0). This pathway requires the incorporation of both hydrogen atoms from one hydrogen molecule to the same product molecule. However, the underlying mechanism for such pairwise hydrogen addition must be better understood. The involvement of carbon, either in the form of carbonaceous deposits on the surface of a catalyst or as a metal carbide phase, is known to modify catalytic properties significantly and thus could also affect the pairwise hydrogen addition route. Here, we explored carbon's role by studying the hydrogenation of propene and propyne with parahydrogen on a Rh2C catalyst and comparing the results with those for a Rh0/C catalyst obtained from Rh2C via H2 pretreatment. While the catalysts Rh2C and Rh0/C differ notably in the rate of conversion of parahydrogen to normal hydrogen as well as in terms of hydrogenation activity, our findings suggest that the carbide phase does not play a significant role in the pairwise H2 addition route on rhodium catalysts.
Unlocking the Charge‐Storage Potential of a Phenanthraquinone‐based Two‐Dimensional Covalent Organic Framework (2D COF)
Authors: Günther Tyran , Hedbom Daniel , Åhlén Michelle , Yoshino Haruka , Miyasaka Hitoshi , Kasai Hitoshi , Oka Kouki , Emanuelsson Rikard 
Published: June 2024

AbstractThe high surface area, open pore‐structure and atomic‐level organization inherent in many covalent organic frameworks (COFs) make them an attractive polymer platform for developing functional materials. Herein, a chemically robust 2D COF (TpOMe‐DAPQ COF) containing phenanthraquinone moieties was prepared by condensing 2,4,6‐trimethoxy‐1,3,5‐benzenetricarbaldehyde (TpOMe) and 2,7‐diamino‐9,10‐phenanthraquinone (DAPQ) using the convenient mechanochemical method. The poor charge‐storage capacity of the pristine TpOMe‐DAPQ COF was substantially improved by first investigating its redox‐site accessibility (RSA) using different conductivity‐enhancement methods, and then optimizing the amount of EDOT needed to perform an in‐situ polymerization. The resulting composite (0.4EDOT@TpOMe‐DAPQ) was characterized and its enhanced charge‐storage capabilities enabled it to be used as an anode material in an aqueous Mn beaker‐cell battery capable of delivering 0.76 V. This work outlines the rational design approach used to develop a functional charge‐storage material utilizing a COF‐based polymerization platform.
Diindeno‐Fused Corannulene‐Extended Tetrathiafulvalenes
Authors: Pedersen Viktor Bliksted Roug , Jasti Ramesh , Nielsen Mogens Brøndsted 
Published: June 2024

AbstractTwo regioisomeric extended tetrathiafulvalenes (TTFs) incorporating diindeno‐fused corannulene spacers were synthesized from suitable dione precursors using Horner‐Wadsworth‐Emmons olefination reactions. Both compounds are strong chromophores with a longest‐wavelength absorption that exhibited some degree of charge‐transfer character as inferred from solvatochromic behaviors and frontier orbital calculations. The compounds underwent two reversible one‐electron oxidations and a quasi‐reversible third oxidation during cyclic voltammetry conditions. The mono‐ and dications had characteristic NIR absorptions and both were EPR active. The dications with potential diradicaloid characters underwent reactions when generated in bulk.
Irresponsible to others but responsible to me: Testing employees' responses to external corporate social irresponsibility and internal corporate social responsibility
Authors: Yue Cen April , Song Baobao , Tao Weiting , Kang Minjeong 
Published: June 2024

AbstractDrawing upon deonance theory and expectancy violation theory, we investigate how employees react when their companies engage in corporate social irresponsibility (CSiR) that harms external stakeholders who are not employees themselves. Furthermore, we introduce the concept of perceived internal corporate social responsibility (CSR), which refers to employees' perceptions of how organizational actions and policies benefit them personally. We developed a conceptual model that illustrates the joint influence of external CSiR and internal CSR on employees' perceptual, relational, and behavioral outcomes. An online survey with 417 full‐time US employees revealed that employees tend to evaluate unethical corporate practices holistically, in the context of other factors, such as the company's moral character and internal CSR, rather than based on external immorality. Our study contributes to a deeper understanding of employee reactions to both CSR and CSiR, emphasizing the importance of organizations evaluating the broader ramifications of their unethical actions.
Plasma EBV quantification is associated with the efficacy of immune checkpoint blockade and disease monitoring in patients with primary pulmonary lymphoepithelioma‐like carcinoma
Authors: Zhong Yu‐Min , Chen Ji , Jiang Jie , Zhou Wen‐Bin , Gao Ling‐Ling , Zhang Shui‐Lian , Yan Wen‐Qing , Chen Yu , Zhang Dong‐Kun , Lu Dan‐Xia , Lv Zhi‐Yi , Xie Zhi , Huang Ying , Guo Wei‐Bang , Wang Bin‐Chao , Yang Jin‐Ji , Yang Xue‐Ning , Wu Yi‐Long , Zhang Xu‐Chao 
Published: June 2024

AbstractObjectivesPrimary pulmonary lymphoepithelioma‐like carcinoma (PLELC) is a subtype of lung carcinoma associated with the Epstein–Barr virus (EBV). The clinical predictive biomarkers of immune checkpoint blockade (ICB) in PLELC require further investigation.MethodsWe prospectively analysed EBV levels in the blood and immune tumor biomarkers of 31 patients with ICB‐treated PLELC. Viral EBNA‐1 and BamHI‐W DNA fragments in the plasma were quantified in parallel using quantitative polymerase chain reaction.ResultsProgression‐free survival (PFS) was significantly longer in EBNA‐1 high or BamHI‐W high groups. A longer PFS was also observed in patients with both high plasma EBNA‐1 or BamHI‐W and PD‐L1 ≥ 1%. Intriguingly, the tumor mutational burden was inversely correlated with EBNA‐1 and BamHI‐W. Plasma EBV load was negatively associated with intratumoral CD8+ immune cell infiltration. Dynamic changes in plasma EBV DNA level were in accordance with the changes in tumor volume. An increase in EBV DNA levels during treatment indicated molecular progression that preceded the imaging progression by several months.ConclusionsPlasma EBV DNA could be a useful and easy‐to‐use biomarker for predicting the clinical activity of ICB in PLELC and could serve to monitor disease progression earlier than computed tomography imaging.
Impact of food additives on neurodevelopmental processes in zebrafish (Danio rerio): Exploring circadian clock genes and dopamine system
Authors: Christy L. Divya , Vignesh K. , Nellore Jayshree , Tippabathani Jayakrishna 
Published: June 2024

AbstractAssessing the impact of food additives on neurodevelopmental processes extends beyond traditional acute toxicity evaluations to address subtler, long‐term effects. This study investigates the impact of common food additives (tartrazine, sunset yellow, sodium benzoate, and aspartame) on neurodevelopment in zebrafish embryos, observed from 18 hours postfertilization (hpf) to 91 days postfertilization (dpf). Results show reduced 96 hpf locomotor activity after aspartame exposure, with elevated additives correlating with decreased heart rates and induced neurodegenerative phenotypes, including bent tails and abnormal pigmentation. Although locomotor activity decreases at 7 days postexposure, a gradual recovery is observed. Transcriptome analysis indicates alterations in clock genes (Cry2 and Per2) and dopamine‐related genes (NURR1 and tyrosine hydroxylase) in zebrafish larvae. Dietary additive exposure during embryonic development impacts clock genes, influencing dopamine activity and resulting in neurobehavioral changes. This study underscores potential risks associated with dietary additive exposure during critical developmental stages, warranting reconsideration of consumption guidelines, especially for expectant mothers. Observed neurodevelopmental toxicity, even below recommended levels, emphasizes the importance of safeguarding neurodevelopmental health in early life. Our findings contribute to understanding the neurotoxic effects of dietary additives, emphasizing the necessity of protecting neurodevelopment during vulnerable periods. This study is the first to demonstrate a direct correlation between food additives and the dysregulation of key circadian rhythm and dopaminergic genes in zebrafish, providing new insights into the neurodevelopmental impacts of dietary additives. These findings pave the way for further research into the molecular mechanisms and potential implications for human health.
Collective wetting transitions of submerged gas‐entrapping microtextured surfaces
Authors: Arunachalam Sankara , Mishra Himanshu 
Published: June 2024

AbstractNumerous natural and industrial processes entail the spontaneous entrapment of gas/air as rough/patterned surfaces are submerged under water. As the wetting transitions ensue, the gas diffuses into the water leading to the fully water‐filled state. However, the standard models for wetting do not account for the microtexture's topography on collective wetting transitions. In other words, it is not clear whether the lifetime of n cavities arranged in a one‐dimensional (I‐D) line or a two‐dimensional (II‐D) (circular or square) lattice would be the same or not as a single 0‐D cavity. In response, we tracked the time‐dependent fates of gas pockets trapped in I‐D and II‐D lattices and compared them with wetting transitions in commensurate 0‐D cavities. Interestingly, the collective wetting transitions in the I‐D and the II‐D arrays had a directionality such that the gas from the outermost cavities was lost the first, while the innermost got filled by water the last. In essence, microtexture's spatial organization afforded shielding to the loss of the gas from the innermost cavities, which we probed as a function of the microtexture's pitch, surface density, dimensionality, and hydrostatic pressure. These findings advance our knowledge of wetting transitions in microtextures and inspiring surface textures to protect electronic devices against liquid ingression.