bluuebunny/crossref_metadata_2025_split huggingface dataset:
Electrocatalytic Water Oxidation at Neutral pH–Deciphering the Rate Constraints for an Amorphous Cobalt‐Phosphate Catalyst System
Authors: Liu Si , Zaharieva Ivelina , D'Amario Luca , Mebs Stefan , Kubella Paul , Yang Fan , Beyer Paul , Haumann Michael , Dau Holger 
Published: October 2022

AbstractThe oxygen evolution reaction (OER) is pivotal in sustainable fuel production. Neutral‐pH OER reduces operational risks and enables direct coupling to electrochemical CO2reduction, but typically is hampered by low current densities. Here, the rate limitations in neutral‐pH OER are clarified. Using cobalt‐based catalyst films and phosphate ions as essential electrolyte bases, current–potential curves are recorded and simulated. Operando X‐ray spectroscopy shows the potential‐dependent structural changes independent of the electrolyte phosphate concentration. Operando Raman spectroscopy uncovers electrolyte acidification at a micrometer distance from the catalyst surface, limiting the Tafel slope regime to low current densities. The electrolyte proton transport is facilitated by diffusion of either phosphate ions (base pathway) or H3O+ions (water pathway). The water pathway is not associated with an absolute current limit but is energetically inefficient due to the Tafel‐slope increase by 60 mV dec−1, shown by an uncomplicated mathematical model. The base pathway is a specific requirement in neutral‐pH OER and can support high current densities, but only with accelerated buffer‐base diffusion. Catalyst internal phosphate diffusion or other internal transport mechanisms do not limit the current densities. A proof‐of‐principle experiment shows that current densities exceeding 1 A cm−2can also be achieved in neutral‐pH OER.
Recent progress in low‐cost noncovalently fused‐ring electron acceptors for organic solar cells
Authors: Bai Qingqing , Liang Qiming , Li Henan , Sun Huiliang , Guo Xugang , Niu Li 
Published: October 2022

AbstractThe power conversion efficiencies (PCEs) of organic solar cells (OSCs) have improved considerably in recent years with the development of fused‐ring electron acceptors (FREAs). Currently, FREAs‐based OSCs have achieved high PCEs of over 19% in single‐junction OSCs. Whereas the relatively high synthetic complexity and the low yield of FREAs typically result in high production costs, hindering the commercial application of OSCs. In contrast, noncovalently fused‐ring electron acceptors (NFREAs) can compensate for the shortcomings of FREAs and facilitate large‐scale industrial production by virtue of the simple structure, facile synthesis, high yield, low cost, and reasonable efficiency. At present, OSCs based on NFREAs have exceeded the PCEs of 15% and are expected to reach comparable efficiency as FREAs‐based OSCs. Here, recent advances in NFREAs in this review provide insight into improving the performance of OSCs. In particular, this paper focuses on the effect of the chemical structures of NFREAs on the molecule conformation, aggregation, and packing mode. Various molecular design strategies, such as core, side‐chain, and terminal group engineering, are presented. In addition, some novel polymer acceptors based on NFREAs for all‐polymer OSCs are also introduced. In the end, the paper provides an outlook on developing efficient, stable, and low‐cost NFREAs for achieving commercial applications.
Data‐driven tools for the optimization of a pharmaceutical process through its knowledge‐driven model
Authors: Castaldello Christopher , Facco Pierantonio , Bezzo Fabrizio , Georgakis Christos , Barolo Massimiliano 
Published: October 2022

AbstractThe use of computationally demanding knowledge‐driven models to optimize a process might encounter substantial numerical challenges. Because a model is an abstraction and approximation of the process, calculating the exact model optimum might not be necessary because its industrial implementation is bound to be an approximate one. Here we are exploring an alternative optimization route through a surrogate model. Because one of the decision variables affecting the optimization is time‐varying, the Design of Dynamic Experiments is used to estimate the surrogate model. The process considered here is a freeze‐drying process widely used in the pharmaceutical industry. The model used is a stochastic model describing the process in great detail. It is shown that the proposed data‐driven route calculates the optimum in about 8 h, as opposed to 22 h for the knowledge‐driven model, while sacrificing only <15% in the computed value of the process performance.
Cutaneous T‐cell lymphomas: 2023 update on diagnosis, risk‐stratification, and management
Authors: Hristov Alexandra C. , Tejasvi Trilokraj , Wilcox Ryan A. 
Published: October 2022

AbstractDisease OverviewCutaneous T‐cell lymphomas are a heterogenous group of T‐cell neoplasms involving the skin, the majority of which may be classified as Mycosis Fungoides (MF) or Sézary Syndrome (SS).DiagnosisThe diagnosis of MF or SS requires the integration of clinical and histopathologic data.Risk‐Adapted TherapyTNMB (tumor, node, metastasis, blood) staging remains the most important prognostic factor in MF/SS and forms the basis for a “risk‐adapted,” multidisciplinary approach to treatment. For patients with disease limited to the skin, expectant management or skin‐directed therapies is preferred, as both disease‐specific and overall survival for these patients is favorable. In contrast, patients with advanced‐stage disease with significant nodal, visceral or the blood involvement are generally approached with systemic therapies, including biologic‐response modifiers, histone deacetylase inhibitors, or antibody‐based strategies, in an escalating fashion. In highly‐selected patients, allogeneic stem‐cell transplantation may be considered, as this may be curative in some patients.
Achievements, Challenges, and Scope of Thirty Years of Work on the Biotransformation of Arenes and Their Synthetic Applications
Authors: Schapiro Valeria , Brovetto Margarita , Carrera Ignacio , Gamenara Daniela , González David , Pandolfi Enrique , Seoane Gustavo 
Published: October 2022

AbstractThis account describes the results of three decades of work on the production, chemistry, and synthetic applications of cis‐cyclohexadienediols obtained by biotransformation of arenes. These cis‐diols are valuable chiral building blocks, as they are enantiomerically pure, possessing good accessibility and high chemical versatility. Our work covers enzymatic and chemical aspects of the biotransformation, as well as synthetic applications of the resulting cis‐diols. We optimized the biotransformation procedure, described a computational model of TDO, designed new mutants, identified new metabolites, and disclosed new reactions of the Rieske dioxygenases. Also, the reactivity of the cis‐diol core was studied, with an emphasis in addition reactions, such as cycloadditions, osmylations, and electrophilic additions. Preparation of building blocks and bioactive natural products is described from the synthetic point of view, mostly concerning cyclitols, carbasugars, acetogenin and carbohydrates.
Neonatal and paediatric point‐of‐care ultrasound review
Authors: Pan Stephanie , Lin Carole , Tsui Ban C. H. 
Published: October 2022

AbstractPurposePoint‐of‐care ultrasound (POCUS) examinations for children and newborns are different from POCUS exams for adults due to dissimilarities in size and body composition, as well as distinct surgical procedures and pathologies in the paediatric patient. This review describes the major paediatric POCUS exams and how to perform them and summarizes the current evidence‐based perioperative applications of POCUS in paediatric and neonatal patients.MethodLiterature searches using PubMed and Google Scholar databases for the period from January 2000 to November 2021 that included MeSH headings of [ultrasonography] and [point of care systems] and keywords including “ultrasound” for studies involving children aged 0 to 18 years.ResultsPaediatric and neonatal POCUS exams can evaluate airway, gastric, pulmonary, cardiac, abdominal, vascular, and cerebral systems.DiscussionPOCUS is rapidly expanding in its utility and presence in the perioperative care of paediatric and neonatal patients as their anatomy and pathophysiology are uniquely suited for ultrasound imaging applications that extend beyond the standard adult POCUS exams.ConclusionsPaediatric POCUS is a powerful adjunct that complements and augments clinical diagnostic evaluation and treatment.
Programmed Iteration Controls the Assembly of the Nonanoic Acid Side Chain of the Antibiotic Mupirocin
Authors: Winter Ashley J. , Rowe Matthew T. , Weir Angus N. M. , Akter Nahida , Mbatha Sbusisiwe Z. , Walker Paul D. , Williams Christopher , Song Zhongshu , Race Paul R. , Willis Christine L. , Crump Matthew P. 
Published: October 2022

AbstractMupirocin is a clinically important antibiotic produced by Pseudomonas fluorescens NCIMB 10586 that is assembled by a complex trans‐AT polyketide synthase. The polyketide fragment, monic acid, is esterified by a 9‐hydroxynonanoic acid (9HN) side chain which is essential for biological activity. The ester side chain assembly is initialised from a 3‐hydroxypropionate (3HP) starter unit attached to the acyl carrier protein (ACP) MacpD, but the fate of this species is unknown. Herein we report the application of NMR spectroscopy, mass spectrometry, chemical probes and in vitro assays to establish the remaining steps of 9HN biosynthesis. These investigations reveal a complex interplay between a novel iterative or “stuttering” KS‐AT didomain (MmpF), the multidomain module MmpB and multiple ACPs. This work has important implications for understanding the late‐stage biosynthetic steps of mupirocin and will be important for future engineering of related trans‐AT biosynthetic pathways (e.g. thiomarinol).
Enhanced CO2 Photoreduction through Spontaneous Charge Separation in End‐Capping Assembly of Heterostructured Covalent‐Organic Frameworks
Authors: Lin Huaxing , Liu Yuan , Wang Zirui , Ling Liying , Huang Hao , Li Qiaohong , Cheng Linxiu , Li Yibao , Zhou Jilong , Wu Kaifeng , Zhang Jian , Zhou Tianhua 
Published: October 2022

AbstractIt is well known that charge separation is crucial for efficient photocatalytic solar conversion. Although some covalent‐organic frameworks (COFs) exhibit visible‐light harvest, the large exciton binding energies reduce their photocatalytic efficiencies. Herein, we developed a novel method to post‐treat the olefin‐linked COFs with end‐capping polycyclic aromatic hydrocarbons (PAHs) for spontaneous charge separation. Interestingly, a type‐II heterostructure is constructed in our perylene‐modified COFs which displays drastically enhanced performance for photocatalytic CO2 reduction, with an efficiency of 8‐fold higher than that of unmodified COF. A combination of electrochemical, steady‐state, and time‐resolved spectroscopic measurements indicates that such drastically enhanced performance should be attributed to photoinduced spontaneous charge separation in the heterostructure. These results illustrate the feasibility of engineering the charge‐separation properties of crystalline porous frameworks at a molecular level for artificial photosynthesis.
Incorporation of N,N,‐diethyl‐meta‐toluamide within electrospun nylon‐6/6 nanofibers
Authors: Thum Matthew D. , Weise Nickolaus K. , Casalini Riccardo , Fulton Ashley C. , Purdy Andrew P. , Lundin Jeffrey G. 
Published: October 2022

AbstractEncapsulation of insect repellents is a key method of controlling their delivery and limiting unnecessary exposure to the wearer. Common topical repellents suffer from short lifetimes resulting in the need to frequently re‐apply to retain effectiveness. Herein, a strategy is employed whereby N,N,‐diethyl‐meta‐toluamide (DEET) is incorporated within electrospun nylon 6/6 nanofibers. Electrospinning from polymer solutions containing up to 50 wt% DEET relative to nylon has no detrimental effect on the fiber morphology and thermal analysis shows the final fibers can contain up to 29 wt% DEET. The effect of varying the concentration of nylon electrospinning solution on the fiber morphology and the retention of DEET is discussed. The rate constant for DEET release is calculated at room temperature and is used to estimate the estimated repellency of the fibers. The lifetime depends on the weight of material and the concentration of DEET, where the active lifetime for a lightweight fabric is estimated to be >200 h. We demonstrate electrospinning as a facile means to incorporate DEET within a polymer matrix and control its evaporation and highlight the possibility for the preparation of fabrics and textiles with long‐lasting, active insect protection.
Improvement in the ability to have sex in patients with Peyronie's disease treated with Collagenase Clostridium histolyticum
Authors: Geelhoed Jeannette P. , Wegelin Olivier , Tromp Ellen , de Boer Bert‐Jan , de Jong Igle‐Jan , Beck Jack J. H. 
Published: October 2022

AbstractObjectiveTo describe the results of intralesional Collagenase Clostridium histolyticum (CCH) treatment in patients with Peyronie's disease (PD) in real‐world setting. PD is characterized by curvature of the erect penis caused by fibrotic tissue in the tunica albuginea.Patients and methodsPatients with stable PD and curvature of 30° to 90° were prospectively enrolled. CCH injections were initially given using a scheme of four cycles of two injections within 48–72 h every 6 weeks. Later using a modified scheme of three injections every 4 weeks, combined with a vacuum erection device (VED) twice daily. All patients were requested to take pictures of the erect penis prior to and following treatment, from above and laterally. Curvature was measured by three independent researchers based on the provided pictures using a goniometer. Furthermore, patients filled in the Peyronie Disease Questionnaire‐NL (PDQ‐NL) and Patient Reported Outcome Measurement (PROM).The primary outcome was reduction in curvature and the ability to have penetrating sex again. Secondary outcomes include pain scores during injections, changes in PDQ‐NL, PROM and complications of CCH treatment.ResultsSixty‐three patients were included, mean age was 56.0 years (range 39–70) and mean reduction in curvature 20.6° (SD 10.2, range 5–49); 74.5% of the patients were able to have penetrating sex again following treatment, compared with 41.2% prior to treatment. According to the PROM questions, sexual improvement was seen in 66.7% of patients. The satisfaction rate was 6.8 (SD 1.8). All patients save two recommend treatment.ConclusionsIntralesional treatment with CCH in men with PD leads to a mean curvature improvement of 20.6°. Following treatment, 74.5% of men were able to have sexual intercourse and 54.9% of the couples were satisfied with their sex life. No major complications occurred in the patients treated with CCH. CCH is not available in Europe anymore despite good results.
Carrying the Moral Burden of Safe Fieldwork
Authors: Blonder Benjamin Wong 
Published: October 2022

AbstractFieldwork in ecology and the environmental sciences often leads to negative physical and emotional outcomes for workers. I argue that this is largely due to an abdication of responsibility on the part of their supervisors, and that supervisors are charged with carrying three interlinked moral burdens: first, the duty of promoting safety; second, the duty of ensuring safe experiences are accessible to all; and third, the duty of continuing to learn and improve. To help, I offer a set of safety actions that supervisors can easily implement. I then offer a set of personal reflections on how we should think about failure, accountability, learning, repair, and forgiveness in the scientific workplace.
Teaching behavior analysts in an early intensive behavioral intervention setting to conduct a structured mealtime protocol
Authors: Ibañez Vivian F. , Peters Kerri P. , Bacotti Janelle K. , Lloveras Lindsay A. , Van Arsdale Angela , Vollmer Timothy R. 
Published: October 2022

AbstractChildren with autism spectrum disorder often display feeding problems, such as consumption of a limited variety of foods. It is also common for these children to be enrolled in early intensive behavioral intervention (EIBI) services for comprehensive treatment. Combined, these factors make it possible that behavior analysts will have a role in a child's clinical care related to feeding. However, given that the etiology of pediatric feeding disorders is complex and multifactorial, clinicians should ensure they have sufficient training and a setting that is appropriate for assessment and treatment. Therefore, we evaluated the effects of behavioral skills training in an EIBI setting to conduct a structured mealtime protocol. Training resulted in increases in procedural integrity, and we replicated these effects for all participants.
Continuous monitoring of IgG using immobilized fluorescent reporters
Authors: Goyal Atul , Vu Binh , Maranholkar Vijay , Patil Ujwal , Kourentzi Katerina , Willson Richard C. 
Published: October 2022

AbstractIn the manufacture of therapeutic monoclonal antibodies, the clarified cell culture fluid (CCF) is typically loaded onto an initial protein A affinity capture column. Imperfect mass transfer and loading to maximum capacity can risk antibody breakthrough and loss of valuable product, but conservative underloading wastes expensive protein A resin. In addition, the effects of column fouling and ligand degradation require the frequent optimization of immunoglobulin G (IgG) loading to avoid wastage. Continuous real‐time monitoring of IgG flowthrough is of great interest, therefore. We previously developed a fluorescence‐based monitoring technology that allows batch mix‐and‐read mAb detection in the CCF. Here, we report the use of reporters immobilized on cyanogenbromide‐activated Sepharose 4B resin for continuous detection of IgG in column breakthrough. The column effluent is continuously contacted with immobilized fluorescein‐labeled Fc‐binding ligands in a small monitoring column to produce an immediately‐detectable change in fluorescence intensity. The technology allows rapid and reliable monitoring of IgG in a flowing stream of clarified CCF emerging from a protein A column, without prior sample preparation. We observed a significant change in fluorescence intensity at 0.5 g/L human IgG, sufficient to detect a 5% breakthrough of a 10 g/L load, within 18 s at a flow rate of 0.5 ml/min. The current small‐scale technology is suitable for use in process development, but the chemistry should be readily adaptable to larger scale applications using fiber‐optic sensors, and continuous IgG monitoring could be applicable in a variety of upstream and downstream process settings.
Computational prediction of blend time in a large‐scale viral inactivation process for monoclonal antibodies biomanufacturing
Authors: Sirasitthichoke Chadakarn , Hoang Duc , Phalak Poonam , Armenante Piero M. , Barnoon Barak I. , Shandil Ishaan 
Published: October 2022

AbstractViral inactivation (VI) is a process widely used across the pharmaceutical industry to eliminate the cytotoxicity resulting from trace levels of viruses introduced by adventitious agents. This process requires adding Triton X‐100, a non‐ionic detergent solution, to the protein solution and allowing sufficient time for this agent to inactivate the viruses. Differences in process parameters associated with vessel designs, aeration rate, and many other physical attributes can introduce variability in the process, thus making predicting the required blending time to achieve the desired homogeneity of Triton X‐100 more critical and complex. In this study we utilized a CFD model based on the lattice Boltzmann method (LBM) to predict the blend time to homogenize a Triton X‐100 solution added during a typical full‐scale commercial VI process in a vessel equipped with an HE‐3‐impeller for different modalities of the Triton X‐100 addition (batch vs. continuous). Although direct experimental progress of the blending process was not possible because of GMP restrictions, the degree of homogeneity measured at the end of the process confirmed that Triton X‐100 was appropriately dispersed, as required, and as computationally predicted here. The results obtained in this study were used to support actual production at the biomanufacturing site.
Comparative efficacy and safety of atezolizumab and bevacizumab between hepatocellular carcinoma patients with viral and non‐viral infection: A Japanese multicenter observational study
Authors: Hatanaka Takeshi , Kakizaki Satoru , Hiraoka Atsushi , Tada Toshifumi , Hirooka Masashi , Kariyama Kazuya , Tani Joji , Atsukawa Masanori , Takaguchi Koichi , Itobayashi Ei , Fukunishi Shinya , Tsuji Kunihiko , Ishikawa Toru , Tajiri Kazuto , Ochi Hironori , Yasuda Satoshi , Toyoda Hidenori , Ogawa Chikara , Nishimura Takashi , Shimada Noritomo , Kawata Kazuhito , Kosaka Hisashi , Tanaka Takaaki , Ohama Hideko , Nouso Kazuhiro , Morishita Asahiro , Tsutsui Akemi , Nagano Takuya , Itokawa Norio , Okubo Tomomi , Arai Taeang , Imai Michitaka , Naganuma Atsushi , Koizumi Yohei , Nakamura Shinichiro , Joko Kouji , Kaibori Masaki , Iijima Hiroko , Hiasa Yoichi , Kumada Takashi ,   the Real‐life Practice Experts for HCC (RELPEC) Study Group, and HCC 48 Group (hepatocellular carcinoma experts from 48 clinics in Japan)
Published: October 2022

AbstractAimThis study compared the efficacy and safety of atezolizumab and bevacizumab (Atez/Bev) in patients with viral and non‐viral infection in clinical settings.MethodsWe conducted the retrospective cohort study of 323 BCLC stage B or C hepatocellular carcinoma (HCC) patients with Child‐Pugh class A, and a performance status of 0 or 1 who started Atez/Bev from September 2020 to December 2021 at 22 institutions in Japan. Patients with viral infection was defined as those who were either serum anti‐HCV‐ Ab or HBs‐Ag‐positive, while patients with non‐viral infection was defined as those who were both serum anti‐HCV Ab‐ and HBs‐Ag‐negative. We constructed a propensity‐score‐matched cohort to minimize the risk of observable potential confounders.ResultsPropensity score matching produced 126 matched pairs for patients with viral versus non‐viral infection. After matching, the significant differences in baseline demographic features did not exist between the two groups. The objective response rate was 20.6% and 24.6% in viral‐ and non‐viral‐related HCC patients, respectively, without a significant difference (p = 0.55). The disease control rate was not also significantly different (68.3% vs 69.0%,p = 1.00). The median progression‐free survival was 7.0 months (95% confidence interval [CI] 6.0–9.6) and 6.2 months (95% CI 5.1–7.8) in patients with viral and non‐viral infection, and the 12‐month survival rates were 65.5% (95% CI 50.8–76.8) and 71.7% (95% CI 57.3–81.9) in those with viral and non‐viral infection, respectively, which were not significantly different (p = 0.33,p = 0.38). No significant difference in treatment‐related adverse events was found between the two groups.ConclusionsOur etiology‐based study demonstrated that Atez/Bev showed good efficacy and safety for HCC patient with non‐viral infection as well as those with viral infection.
Natural Compounds with Oxepinochromene Scaffold. Structure, Source, Biological Activity and Synthesis
Authors: Gašparová Renata 
Published: October 2022

AbstractNatural products containing oxepinochromene motifs were first isolated from natural sources in 1960s. Natural oxepinochromenes are relatively rare and their source is limited to several endophytic and endolichenic fungi or higher plants. The importance of natural oxepinochromene derivatives lies in their promising biological activity. They exhibit a wide range of activities such as antibacterial, anticancer, anti‐inflammatory or antifungal. Consequently, their synthesis has attracted significant interest. This review discusses the source, biosynthesis, biological activity, reactions as well as the total synthesis of oxepinochromene derivatives, belonging to the xanthone, terpenoid and flavone groups of phenolic secondary metabolites.