bluuebunny/crossref_metadata_2025_split huggingface dataset:
In Situ Probing and Identification of Electrochemical Reaction Intermediates by Floating Electrolytic Electrospray Mass Spectrometry
Authors: Chen Jianxiong , Wang Xiangyu , Cui Xi , Li Yongyi , Feng Yuqi , Wei Zhenwei 
Published: January 2023

AbstractThe in‐depth study of electrochemical (EC) synthesis can require a powerful mass spectrometry (MS) analytical platform which can discover and identify fleeting intermediates in EC reactions. Here we report a floating electrolytic electrospray ionization (FE‐ESI) strategy that can perform EC processes in a floating electrolytic cell and monitor intermediates by high‐resolution MS. Compared with previous EC‐MS methods, a significant advantage of FE‐ESI‐MS is that it allows one to modulate the electrolytic and electrospray process individually, ensuring its high sensitivity in discovering intermediates and universality to investigate redox reactions in different scenarios. This powerful platform has been successfully used to investigate the EC reductive coupling of p‐tolylboronic acid and p‐nitrotoluene. A series of nitrene intermediates were discovered and identified by FE‐ESI‐MS, indicating that a hidden mechanism involving nitrene formation might play a key role in EC reductive coupling process.
Processing PLA/P(3HB)(4HB) blends for the manufacture of highly transparent, gas barrier and fully bio‐based films for compostable packaging applications
Authors: Aversa Clizia , Barletta Massimiliano , Koca Nazan 
Published: January 2023

AbstractIn this study, the extrusion process of PLA/P(3HB)(4HB) blends was studied and the effect on mechanical, thermal and physical properties of the blends containing increasing amounts of P(3HB)(4HB) was evaluated. The blends were prepared by means of a twin screw extruder and subsequently film samples were manufactured using a lab scale cast extruder. A potential industrial application of the studied materials was also validated by testing the films on a pilot thermoforming machine for the production of food containers. The extrusion process demonstrated good processability of blends containing 10%, 20%, and 30% of P(3HB)(4HB). Increasing the amount of P(3HB)(4HB) up to 40% and 50%, processability problems occurred related to tackiness of the materials both during extrusion compounding and during cast extrusion. Both granules and films were characterized and thermo‐physical and mechanical properties of the samples are hereinafter reported. The novel polymeric blends are found to be suitable for extrusion compounding, cast extrusion and thermoforming processes. Moreover, the blends exhibit enhanced performances in terms of flexibility and impact resistance as well as protection against gas permeation and boast exceptional transparency. Therefore, the innovative PLA/P(3HB)(4HB) blends prove to be suitable for the production of compostable single‐use packaging requiring high transparency and gas barrier.
Understanding data culture/s: Influences, activities, and initiatives: An Annual Review of Information Science and Technology (ARIST) paper.
Authors: Oliver Gillian , Cranefield Jocelyn , Lilley Spencer , Lewellen Matthew J. 
Published: January 2023

AbstractData culture/s as a research topic has begun to attract attention from a wide range of disciplines, albeit with inconsistent application of definitions, dimensions, and applications. This work builds on a call to investigate data culture/s within the information studies domain as a topic related to, but distinct from, information culture. The purpose of this study is to explore what is known about data culture/s in greater depth. We apply a retroductive approach to select and consider likely dimensions, inputs, and aspects of data culture/s in order to further map this construct to the literature, and thereby highlight gaps and opportunities to add to this body of knowledge. The initial candidate dimensions explored below include data‐related skills and attitudes, data sharing, data use/reuse, data ethics and governance, and a specific focus on Indigenous perspectives to provide insights on why and how a group may contest the emergent dominant discourse of data culture/s. Our conclusion highlights areas needing further research to fully define and examine the dimensions, inputs, and aspects of data culture/s, and calls for greater understanding and engagement with data culture/s from the information studies community.
Bacterial delivery of therapeutic proteins to the nuclei of cancer cells
Authors: Bloom Shoshana M. K. , O'Hare Nicholas , Forbes Neil S. 
Published: January 2023

AbstractTargeting nucleic targets with therapeutic proteins would enhance the treatment of hard‐to‐treat cancers. However, exogenous proteins are excluded from the nucleus by both the cellular and nuclear membranes. We have recently developed Salmonella that deliver active proteins into the cytoplasm of cancer cells. Here, we hypothesized that bacterially delivered proteins accumulate within nuclei, nuclear localization sequences (NLSs) increase delivery, and bacterially delivered proteins kill cancer cells. To test this hypothesis, we developed intranuclear delivering (IND) Salmonella and quantified the delivery of three model proteins. IND Salmonella delivered both ovalbumin and green fluorescent protein to nuclei of MCF7 cancer cells. The amount of protein in nuclei was linearly dependent on the amount delivered to the cytoplasm. The addition of a NLSs increased both the amount of protein in each nucleus and the number of nuclei that received protein. Delivery of Omomyc, a protein inhibitor of the nuclear transcript factor, Myc, altered cell physiology, and significantly induced cell death. These results show that IND Salmonella deliver functional proteins to the nucleus of cancerous cells. Extending this method to other transcription factors will increase the number of accessible targets for cancer therapy.
Dispersive liquid–liquid microextraction and Monte Carlo simulation of margin of safety for octocrylene, EHMC, 2ES, and homosalate in sunscreens
Authors: Lukić Jelena , Đurkić Tatjana , Onjia Antonije 
Published: January 2023

AbstractDispersive liquid–liquid microextraction (DLLME) using a floating organic drop has been optimized and used for the sample preparation of four commonly used ultraviolet filter (UVF) substances in sunscreens. Plackett–Burman experimental design was used to screen 10 variables in DLLME. The most significant variables were then optimized by using a response surface method with a Box–Behnken design. DLLME followed by an optimized HPLC identified octocrylene, 2‐ethylhexyl‐4‐methoxycinnamate, ethylhexyl salicylate, and homosalate as the frequently found UVFs in commercial sunscreens. The systemic exposure dosage and margin of safety (MoS) for the identified UVFs were estimated using in‐use concentrations and application patterns. The average systemic exposure dosage values for octocrylene, 2‐ethylhexyl‐4‐methoxycinnamate, ethylhexyl salicylate, and homosalate were 0.52, 0.61, 0.020, and 0.079 mg/kg body weight per day, respectively. Whereas the average MoS values for individual UVFs ranging from 296 to 3160 were all significantly higher than the limit value of 100, the combined exposure risks were slightly above the limit. The probabilistic health risk assessment using Monte Carlo simulation revealed that the combined MoS values were (mean, 10‰, 90‰) 342, 119, and 441, respectively. Regarding the usage of sunscreen cosmetics containing the UVFs studied, these results indicate a safety concern for those who apply multiple UVF products.
Nanomaterials for mRNA‐based therapeutics: Challenges and opportunities
Authors: Li De‐feng , Liu Qi‐song , Yang Mei‐feng , Xu Hao‐ming , Zhu Min‐zheng , Zhang Yuan , Xu Jing , Tian Cheng‐mei , Yao Jun , Wang Li‐sheng , Liang Yu‐jie 
Published: January 2023

AbstractMessenger RNA (mRNA) holds great potential in developing immunotherapy, protein replacement, and genome editing. In general, mRNA does not have the risk of being incorporated into the host genome and does not need to enter the nucleus for transfection, and it can be expressed even in nondividing cells. Therefore, mRNA‐based therapeutics provide a promising strategy for clinical treatment. However, the efficient and safe delivery of mRNA remains a crucial constraint for the clinical application of mRNA therapeutics. Although the stability and tolerability of mRNA can be enhanced by directly retouching the mRNA structure, there is still an urgent need to improve the delivery of mRNA. Recently, significant progress has been made in nanobiotechnology, providing tools for developing mRNA nanocarriers. Nano‐drug delivery system is directly used for loading, protecting, and releasing mRNA in the biological microenvironment and can be used to stimulate the translation of mRNA to develop effective intervention strategies. In the present review, we summarized the concept of emerging nanomaterials for mRNA delivery and the latest progress in enhancing the function of mRNA, primarily focusing on the role of exosomes in mRNA delivery. Moreover, we outlined its clinical applications so far. Finally, the key obstacles of mRNA nanocarriers are emphasized, and promising strategies to overcome these obstacles are proposed. Collectively, nano‐design materials exert functions for specific mRNA applications, provide new perception for next‐generation nanomaterials, and thus revolution of mRNA technology.
Asymmetric Ene‐Reduction by F420‐Dependent Oxidoreductases B (FDOR‐B) from Mycobacterium smegmatis
Authors: Kang Suk Woo , Antoney James , Lupton David W. , Speight Robert , Scott Colin , Jackson Colin J. 
Published: January 2023

AbstractAsymmetric reduction by ene‐reductases has received considerable attention in recent decades. While several enzyme families possess ene‐reductase activity, the Old Yellow Enzyme (OYE) family has received the most scientific and industrial attention. However, there is a limited substrate range and few stereocomplementary pairs of current ene‐reductases, necessitating the development of a complementary class. Flavin/deazaflavin oxidoreductases (FDORs) that use the uncommon cofactor F420 have recently gained attention as ene‐reductases for use in biocatalysis due to their stereocomplementarity with OYEs. Although the enzymes of the FDOR‐As sub‐group have been characterized in this context and reported to catalyse ene‐reductions enantioselectively, enzymes from the similarly large, but more diverse, FDOR‐B sub‐group have not been investigated in this context. In this study, we investigated the activity of eight FDOR‐B enzymes distributed across this sub‐group, evaluating their specific activity, kinetic properties, and stereoselectivity against α,β‐unsaturated compounds. The stereochemical outcomes of the FDOR‐Bs are compared with enzymes of the FDOR‐A sub‐group and OYE family. Computational modelling and induced‐fit docking are used to rationalize the observed catalytic behaviour and proposed a catalytic mechanism.
Dihydroxybenzene‐derived ILs as Halide‐Free, Single‐component Organocatalysts for CO2 Insertion Reactions
Authors: Bragato Nicola , Perosa Alvise , Selva Maurizio , Fiorani Giulia 
Published: January 2023

AbstractA series of dihydroxybenzene‐derived ILs was synthesised via a halide‐free, eco‐friendly methodology and fully characterized. Their activity as single component catalyst towards synthesis of cyclic organic carbonates (COCs) via CO2 insertion into terminal epoxides was evaluated, observing that methyltrioctylammonium hydroquinolate, [N1888][HYD], was the most active catalyst in the proposed optimized conditions ([N1888][HYD] 10 % mol, T=120 °C, t=6 h, p0(CO2)=2.0 MPa, 12 examples, conversion >99 %, yield up to 98 %). Interestingly, [N1888][HYD] was also an active catalyst for CO2 insertion reactions with cyclohexene oxide (CHO), observing formation of both the COC and polycarbonate product. It is proposed that for p0(CO2)≥1.0 MPa, the catalytically active species is the hemicarbonate derivative of the hydroquinolate anion, active towards epoxide ring opening via an unusual hemicarbonate‐alkoxide pathway.
Boron Doping to Limit Sulfur Poisoning on Metal Catalysts**
Authors: Almofleh Ali , Aljama Hassan A. 
Published: January 2023

AbstractSulfur poisoning is a major challenge in catalytic processes where it can result in a gradual decline in the activity of the metal catalyst or a complete deactivation of the catalyst. Many studies were conducted to investigate the effects of sulfur poisoning on metals and address this challenge by developing a catalyst that is resistant to sulfur poisoning without compromising its performance. Boron doping showed to be a promising approach to modify the properties of metal catalysts and improve their performance in various applications. In this work, periodic density functional theory (DFT) calculations were conducted to study boron doping on a number of metals and its impact on sulfur poisoning. The DFT calculations show that boron doping impacts metals differently. Boron doping is favourable on few metals (Pd, Pt, Rh and Ru) and very unfavourable on other metals (e. g. Ag and Cu). On Pd, Pt and Rh, boron doping has a positive impact on reducing sulfur poisoning, with the impact varying with boron concentration. Finally, as a case study, the impact of boron doping on H2S splitting to create H2 was examined and boron doping was shown to have a positive impact on the performance of Pd‐based catalyst.
Personality predictors of career exploration: A meta‐analysis
Authors: Lee Samuel D. , Aquino Anna , Kuncel Nathan R. , Hansen Jo‐Ida C. 
Published: January 2023

AbstractIn this meta‐analysis, correlations of personality traits and career decision‐making self‐efficacy with self and environmental career exploration were estimated across 71 samples and a pairwise sample of 19,846. Traits included the Big Five personality traits, shyness, locus of control, vocational decision styles, and stress. Many measures of career exploration were based on scores of self and environmental exploration on the Career Exploration Survey. Results varied by characteristics with the largest effects for locus of control, vocational decision style: thinking‐feeling and self‐efficacy. Environmental exploration and self‐exploration were moderately correlated and demonstrated different relations with traits that were consistent with theory. Self‐exploration was related to openness to experience and unrelated to extraversion, while environmental exploration was correlated with extraversion. Both were similarly correlated with conscientiousness such that conscientious individuals were more likely to engage in career exploration.
Quest for a Rational Molecular Design of Alkyl‐Distyrylbenzene Liquid by Substitution Pattern Modulation**
Authors: Zheng Xiao , Nagura Kazuhiko , Takaya Tomohisa , Hashi Kenjiro , Nakanishi Takashi 
Published: January 2023

AbstractAlkyl‐π functional molecular liquids (FMLs) are of interest for fabricating soft electronic devices due to their fluidic nature and innate optoelectronic functions from the π‐conjugated moiety. However, predictable development of alkyl‐π FMLs with the desired liquid and optoelectronic properties is challenging. A series of alkyl‐distyrylbenzene (DSB) liquids was studied in terms of the substituent position effect by attaching 2‐octyldodecyl chains at (2,4‐), (2,5‐), (2,6‐), and (3,5‐). The effect of the alkyl chain length was investigated by attaching 2‐hexyldecyl, 2‐decyltetradecyl (C10C14), and 2‐dodecylhexadecyl at the (2,5‐) substituent position. The 2,5‐C10C14substituent pattern constructed a superior alkyl‐DSB liquid with a lower viscosity, intrinsic optical properties, and high thermal‐ and photo‐stabilities. The discovered 2,5‐C10C14was applied to dicyanostyrylbenzene and comparable liquid physical and optical superiorities were confirmed. This molecular design is useful for creating alkyl‐π FMLs with the aforementioned advantages, which are applicable for deformable and flowable optoelectronic devices.
An Overview of Computer‐aided Molecular and Process Design
Authors: Iftakher Ashfaq , Monjur Mohammed Sadaf , Hasan M. M. Faruque 
Published: January 2023

AbstractIdentifying sustainable chemical processes often depends on the choice of enabling materials that directly influence the overall performance. Matching property targets while incorporating adequate process knowledge is essential for optimal material selection. Multi‐scale decisions need to be taken simultaneously to determine the optimal process configurations, operating conditions, and material structures. Integrating molecular to process scale decisions within an equation‐oriented optimization framework leads to large‐scale mixed‐integer nonlinear programs (MINLP). Over the years, several solution approaches have been suggested to tackle this issue. Here, the current state‐of‐the‐art in the field of computer‐aided molecular and process design (CAMPD) is discussed and key challenges and open questions are highlighted that may stimulate future research.
ACHEMA 2022 – Digital Twins
Authors: Geuer Lena 
Published: January 2023

AbstractProzessentwicklung und Qualitätssicherung durch Vernetzungsstrukturen zwischen digitaler und realer Welt bilden sich häufig in sog. Digitial Twins (digitaler Zwilling) ab. Der Kurzbericht stellt aktuelle Trends und Entwicklungen, deren Besonderheiten aber auch Herausforderungen zu Digital Twins vor. Die Zusammenfassung beinhaltet eine Auswahl unterschiedlicher Neu‐ und Weiterentwicklungen, Einsatzmöglichkeiten und Forschungsvorhaben, die auf der ACHEMA 2022 ausgestellt waren.
Hypothalamic GnRH expression and pulsatility depends on a balance of prolactin receptors in the plains vizcacha, Lagostomus maximus
Authors: Cortasa Santiago Andrés , Schmidt Alejandro Raúl , Proietto Sofía , Corso María Clara , Inserra Pablo Ignacio Felipe , Giorgio Noelia Paula Di , Lux‐Lantos Victoria , Vitullo Alfredo Daniel , Halperin Julia , Dorfman Verónica Berta 
Published: January 2023

AbstractIn mammals, gestation is considered a physiological hyperprolactinemia status. Prolactin (PRL) is one of the modulators of gonadotropin‐releasing hormone (GnRH) neurons function. The South American plains vizcacha (Lagostomus maximus) is a unique model to study the regulation of hypothalamic GnRH neurons by direct and indirect steroid‐dependent pathways. The aim was to characterize the hypothalamic expression of endocrine markers in vizcacha during gestation as well as their response to experimental induced hyperprolactinemia. The possible involvement of PRL regulatory pathways on GnRH in the context of hypothalamic and pituitary reactivation in mid‐gestating vizcachas was discussed. Using two in vivo approaches, we determined changes in the hypothalamic expression and distribution of prolactin receptor (PRLR), tyrosine hydroxylase (TH), and dopamine type 2 receptor. A significant increment in the number of tuberoinfundibular dopaminergic (TIDA) neurons was determined in the arcuate nucleus from early to term pregnancy. On the other hand, at preoptic area, the number of both TH+PRLR+ and GnRH+PRLR+ double‐labeled neurons significantly decreased at mid‐pregnancy probably allowing the recovery of GnRH expression indicating that both types of neurons may represent the key points of PRL indirect and direct pathways modulating GnRH. Moreover, in a model of induced hyperprolactinemic vizcachas, the inhibitory effect of PRL on GnRH at both expression and delivery levels were confirmed. These results suggest the concomitant participation of both PRL regulatory pathways on GnRH modulation and pinpoint the key role of PRL on GnRH expression enabling the recovery of the hypothalamic activity during the gestation in this species.
Endodontic retreatment decision‐making: The influence of the framing effect
Authors: Kvist Thomas , Henelius Daniela , Smakiqi Agnesa 
Published: January 2023

AbstractObjectiveThe aim of this study was to explore the influence of a framing effect in retreatment decision‐making of a root‐filled tooth with asymptomatic apical periodontitis (AP).MethodTwo variants of a questionnaire were created in which the factual information about a root filled with AP was identical. The options in the first variant were framed in favor to wait and see (FW) and those in the other variant were framed in favor of retreatment (FR) Two hundred and forty‐eight volunteers were by chance given one of the two versions and were asked to choose between having retreatment or to wait and see.ResultsOf the 125 participants given the FW version, 69 (55.2%) chose to wait and see while out of the 123 participants who were given the FR version, 38 (30.9%) made the alike choice (p = .0002).ConclusionA framing effect is likely to play an essential role in endodontic retreatment decision‐making of root‐filled teeth with asymptomatic apical periodontitis.
Nasojejunal tube‐assisted endoscopic ultrasound‐guided gastrojejunostomy for the management of gastric outlet obstruction is safe and effective
Authors: Rai Praveer , Kumar Pankaj , Goel Amit , Singh Thakur Prashant , Sharma Malay 
Published: January 2023

AbstractBackground and aimsEndoscopic ultrasound‐guided gastrojejunostomy (EUS‐GJ) is a therapeutic option for patients with gastric outlet obstruction (GOO), which provides long‐term luminal patency without the risk of tumor ingrowth and/or overgrowth and avoids surgical morbidity. The goal of this study was to assess technical success, clinical success, and adverse events associated with a nasojejunal tube‐assisted EUS‐ GJ technique.MethodsThis was a retrospective study conducted at a single tertiary care center. The nasojejunal tube (14F) was used to perform the EUS‐GJ (device‐assisted method). During the study period, consecutive GOO patients who underwent EUS‐GJ between August 2018 and December 2021 were included. Technical success was defined as adequate positioning and deployment of the stent. The patient's ability to tolerate a normal oral diet without vomiting was defined as clinical success.ResultsThirty patients underwent EUS‐GJ during this study period. Twenty‐six patients had malignant GOO, while four had a benign obstruction. EUS‐GJ was successfully performed in 29 patients, and technical success was 96.67% (29/30). Nasojejunal tube‐assisted EUS‐GJ technique was used in all patients. Clinical success was achieved in all patients who had technical success (29/29, 100%). The adverse events rate was 6.6%. During the procedure, the median procedure time was 25 min (interquartile range 15–42.5), and the average hospitalization was 4.4 days. Normal meals were tolerated by all patients. After 210 days of median follow‐up (range 5–880 days), no recurrence of symptoms was observed.ConclusionThe nasojejunal tube‐assisted EUS‐GJ is a safe and effective technique to treat GOO symptoms.