bluuebunny/crossref_metadata_2025_split huggingface dataset:
Room Temperature Anhydrous Suzuki–Miyaura Polymerization Enabled by C−S Bond Activation
Authors: Wen Xuan , Xie Wenbin , Li Yawen , Ma Xiaoying , Liu Zhaoying , Han Xiao , Wen Kaikai , Zhang Fengjiao , Lin Yuze , Shi Qinqin , Peng Aidong , Huang Hui 
Published: August 2023

AbstractThe Suzuki–Miyaura cross‐coupling is one of the most important and powerful methods for constructing C−C bonds. However, the protodeboronation of arylboronic acids hinder the development of Suzuki–Miyaura coupling in the precise synthesis of conjugated polymers (CPs). Here, an anhydrous room temperature Suzuki–Miyaura cross‐coupling reaction between (hetero)aryl boronic esters and aryl sulfides was explored, of which universality was exemplified by thirty small molecules and twelve CPs. Meanwhile, the mechanistic studies involving with capturing four coordinated borate intermediate revealed the direct transmetalation of boronic esters in the absence of H2O suppressing the protodeboronation. Additionally, the room temperature reaction significantly reduced the homocoupling defects and enhanced the optoelectronic properties of the CPs. In all, this work provides a green protocol to synthesize alternating CPs.
Stereochemically Active Lone Pair Induced Polar Tri‐layered Perovskite for Record‐Performance Polarized Photodetection
Authors: Li Ruiqing , Wang Zirui , Zhu Tingting , Ye Huang , Wu Jianbo , Liu Xitao , Luo Junhua 
Published: August 2023

AbstractBulk photovoltaic effect, a promising optoelectronic phenomenon for generating polarized dependent steady‐state photocurrent, has been widely applied in various photodetectors. However, incorporating stereochemically active lone pair to construct bulk photovoltage in organic‐inorganic hybrid perovskite (OIHP) is still elusive and challenging. Herein, bulk photovoltage (1.2 V) has been successfully achieved by introducing the stereo‐chemically active lone pair perovskitizer to construct a polar tri‐layered hybrid perovskite, namely, (IBA)2MHy2Pb3Br10 (1, IBA=iso‐butylamine, MHy=methylhydrazine). Strikingly, owning to the promising bulk photovoltage, 1‐based detectors exhibit an ultra‐highly sensitive polarized photodetection (polarization ratio of up to 24.6) under self‐powered mode. This ratio surpasses all the reported two‐dimension OIHP single‐crystal photodetectors. In addition, detectors exhibit outstanding responsivity (≈200 mA W−1) and detectivity (≈2.4×1013 Jones). More excitingly, further investigation confirms that lone pair electrons in MHy+ result in the separation of positive and negative charges to produce directional dipoles, which further directional alignment to generate bulk photovoltage, thereby resulting in polarization‐dependent photocurrent. Our findings provide a new demonstration for polar multilayer materials’ construction and may open opportunities for a host of high‐sensitive polarized photodetection.
2D Plasmonic Molecules via Hydrogen Bond Interaction between Polymer‐Grafted Nanoparticles
Authors: Cai Yingying , Vana Philipp 
Published: August 2023

AbstractThe use of macromolecular design features to regulate non‐covalent bonding on the nanoscale is a young and emerging fabrication strategy for advanced nanostructures. For the first time, we describe a self‐assembly method to create a series of 2D plasmonic molecules (PMs) using hydrogen‐bond interaction between a pair of polymer‐capped gold nanoparticles (hydrogen‐bond donor and acceptor). Due to the nature of hydrogen‐bond interaction, we found that polymer interaction and solvation compete with each other during the self‐assembly process, which turns out to be the most important condition for controlling the coordination number of PMs. We have conducted an extensive study on the solvent effect, which has helped us to design and fabricate a series of precise PMs with high symmetry.
Synthesis and application of flame retardant self‐matting aqueous polyurethane dispersion
Authors: Ao Wei , Qu Jinqing 
Published: August 2023

AbstractTo address the issues of insufficient film smoothness, and flammability of aqueous polyurethane dispersions (PUD) prepared by adding matting agents, two hydrophilic chain extenders, dimethylolpropionic acid (DMPA) and sodium 2‐[(2‐aminoethyl)amino] ethanesulphonate (A95), were used to regulate the particle size of the emulsion while using FRC‐6 flame retardant as a small molecule chain extender to prepare a self‐matting and flame retardant PUD. Fourier transform infrared spectroscopy, thermogravimetric analysis, scanning electron microscope, and atomic force microscopy were used to structurally characterize the latex films. The results showed that as theR‐value (NCO/OH molar ratio) and soft segment content decreased, the prepolymer viscosity increased, making it difficult to emulsify and reducing the glossiness of the film. Moreover, an initial increase in DMPA content led to a decrease in film glossiness, followed by an increase. Increasing the molar ratio of A95 sulfonic acid salt‐based chain extender to EDA affected the glossiness of the film, with a 2:8 molar ratio of A95: ethylenediamine (EDA) resulting in a glossiness of the film of 6.5%. The addition of reactive flame retardant diethyl bis (2‐hydroxyethyl) aminomethyl phosphonate (FRC‐6) increased the branching content in the prepolymer, improved the flame retardancy of the film, and reduced its glossiness. As a result, the self‐prepared PUD had a flat film with a glossiness as low as 6.0% and a flame retardancy rating of level 4.
Self‐representation and future perception of youth followed by a specialized intervention team in violent radicalization
Authors: Desmarais Christian , Rousseau Cécile 
Published: August 2023

AbstractIn response to the increase in ideological and non‐ideological mass killings, mental health professionals are beginning to invest in prevention and intervention in violent radicalization situations. The psychological and psychiatric literature proposes multiple psychological theories describing the individual factors at play in the process of violent radicalization: loss of meaning, responses to humiliation, dehumanization of the other as well as serious identity problems are often mentioned, but little is known about the self‐representation of individuals attracted or involved in violent radicalization. This qualitative study aims at giving a sense of the complexity and texture of the experience of radicalized youth (18–30 years old), followed by a specialized clinic in Quebec (Canada). Ten patients, 18–30 years old, a significant age group for identity formation, were recruited for the study. An art‐based method (self‐portrait with a collage) and a projective testing method (the Thematic Apperception Test) were used to elicit the psychic representations of the patient about their identity and document their time perception. The results show that idealization and devaluation processes are central to these patients' self‐representation and are associated with adverse childhood experiences. Regarding time perception, many participants were spontaneously drawn toward a nostalgic past, manifesting significant difficulties in anchoring themselves in the present and imagining a future. These results confirm the vulnerability of this clientele and show that the projective art‐based methods are perceived as more soothing than threatening. Clinical implications, tools and approaches to help evaluate and intervene with radicalized youth are discussed.
Information practices around genetic testing for ovarian cancer patients
Authors: Trace Ciaran B. , Zhang Yan , Yi Siqi , Williams‐Brown Marian Yvette 
Published: August 2023

AbstractKnowledge of ovarian cancer patients' information practices around cancer genetic testing (GT) is needed to inform interventions that promote patient access to GT‐related information. We interviewed 21 ovarian cancer patients and survivors who had GT as part of the treatment process and analyzed the transcripts using the qualitative content analysis method. We found that patients' information practices, manifested in their information‐seeking mode, information sources utilized, information assessment, and information use, showed three distinct styles: passive, semi‐active, and active. Patients with the passive style primarily received information from clinical sources, encountered information, or delegated information‐seeking to family members; they were not inclined to assess information themselves and seldom used it to learn or influence others. Women with semi‐active and active styles adopted more active information‐seeking modes to approach information, utilized information sources beyond clinical settings, attempted to assess the information found, and actively used it to learn, educate others, or advocate GT to family and friends. Guided by the social ecological model, we found multiple levels of influences, including personal, interpersonal, organizational, community, and societal, acting as motivators or barriers to patients' information practice. Based on these findings, we discussed strategies to promote patient access to GT‐related information.
Technoeconomic assessment comparison of batch and continuous hydrothermal carbonization of waste corn stover into advanced biorefinery feedstock
Authors: Islam Md Tahmid , Saha Nepu , Klinger Jordan L. , Reza M. Toufiq 
Published: August 2023

AbstractThe objective of this study was to investigate the economic feasibility of the hydrothermal carbonization (HTC) of waste corn stover. Two different cases of HTC of waste corn stover were considered for a 544 320 kg day−1 as‐received corn stover plant. Case I assumed a batch HTC process, and case II assumed a continuous HTC process. The results show that both cases were economically feasible; however, case I reached the break‐even point at 3 years whereas case II reached the break‐even point at 4 years. Case I also showed greater return on investment (5.02) than case II (3.98) at the end of the 20 year project life, including 26.6% lower total capital investment. About 73% of fixed capital cost came from investment in the reactor alone for case I, whereas 63% came from the reactor for case II. The break‐even selling price of the product was found to be $86.1/kg. A sensitivity analysis showed that the break‐even selling price of the product was the most sensitive to the variation of the cost of corn stover and the least sensitive to variation in the tipping income.
Neighborhood social deprivation and healthcare utilization, disability, and comorbidities among young adults with congenital heart defects: Congenital heart survey to recognize outcomes, needs, and well‐being 2016–2019
Authors: Judge Ashley , Kramer Michael , Downing Karrie F. , Andrews Jennifer , Oster Matthew E. , Benavides Argelia , Nembhard Wendy N. , Farr Sherry L. 
Published: August 2023

AbstractBackgroundResearch on the association between neighborhood social deprivation and health among adults with congenital heart defects (CHD) is sparse.MethodsWe evaluated the associations between neighborhood social deprivation and health care utilization, disability, and comorbidities using the population‐based 2016–2019 Congenital Heart Survey To Recognize Outcomes, Needs, and well‐beinG (CH STRONG) of young adults. Participants were identified from active birth defect surveillance systems in three U.S. sites and born with CHD between 1980 and 1997. We linked census tract‐level 2017 American Community Survey information on median household income, percent of ≥25‐year‐old with greater than a high school degree, percent of ≥16‐year‐olds who are unemployed, and percent of families with children <18 years old living in poverty to survey data and used these variables to calculate a summary neighborhood social deprivation z‐score, divided into tertiles. Adjusted prevalence ratios (aPR) and 95% confidence intervals (CI) derived from a log‐linear regression model with a Poisson distribution estimated the association between tertile of neighborhood social deprivation and healthcare utilization in previous year (no encounters, 1 and ≥2 emergency room [ER] visits, and hospital admission), ≥1 disability, and ≥1 comorbidities. We accounted for age, place of birth, sex at birth, presence of chromosomal anomalies, and CHD severity in all models, and, additionally educational attainment and work status in all models except disability.ResultsOf the 1435 adults with CHD, 43.8% were 19–24 years old, 54.4% were female, 69.8% were non‐Hispanic White, and 33.7% had a severe CHD. Compared to the least deprived tertile, respondents in the most deprived tertile were more likely to have no healthcare visit (aPR: 1.5 [95% CI: 1.1, 2.1]), ≥2 ER visits (1.6 [1.1, 2.3]), or hospitalization (1.6 [1.1, 2.3]) in the previous 12 months, a disability (1.2 [1.0, 1.5]), and ≥1 cardiac comorbidities (1.8 [1.2, 2.7]).ConclusionsNeighborhood social deprivation may be a useful metric to identify patients needing additional resources and referrals.
A genome‐wide analysis of the GRAS gene family in upland cotton and a functional study of the role of the GhGRAS55 gene in regulating early maturity in cotton
Authors: Xie Zhangshu , Yang Dan , Zhou Zhenzhong , Li Kan , Yi Penghui , Liu Aiyu , Zhou Zhonghua , Tu Xiaoju 
Published: August 2023

AbstractThe members of the GRAS gene family play important roles in regulating plant growth and development, but their functions in regulating early plant maturity traits are still unknown. In this study, we used a series of bioinformatics tools to identify GRAS gene family members and investigate the function of the gene family (GhGRAS55) using a genome‐wide database of upland cotton samples. A total of 58 members of the GRAS gene family were identified and screened, which were distributed on 21 chromosomes within the whole cotton genome. The results of the phylogenetic analysis showed that the genes of upland cotton, island cotton, African cotton, Raymond cotton, and Arabidopsis were distributed in subfamilies I–VIII, although subfamily II did not contain any upland cotton or Arabidopsis GRAS family members. The structures and other characteristics of the genes in this family were clarified using bioinformatics technology. The transcriptomic sequencing results for early and late maturing cotton species showed that the expression of most GRAS family genes, such as GhGRAS10, GhGRAS5511, and GhGRAS55, was lower in early maturing species than late maturing species. We also found that cotton plants with GhGRAS55 genes that were silenced by virus‐induced gene silencing (VIGS) technology showed early bud emergence phenotypes, so it could be speculated that the GhGRAS55 gene has the function of regulating early maturity in cotton.
Bioprocess development to produce a hyperthermostable S‐methyl‐5′‐thioadenosine phosphorylase in Escherichia coli
Authors: Schollmeyer Julia , Waldburger Saskia , Njo Kendra , Yehia Heba , Kurreck Anke , Neubauer Peter , Riedel Sebastian L. 
Published: August 2023

AbstractNucleoside phosphorylases are important biocatalysts for the chemo‐enzymatic synthesis of nucleosides and their analogs which are, among others, used for the treatment of viral infections or cancer. S‐methyl‐5′‐thioadenosine phosphorylases (MTAP) are a group of nucleoside phosphorylases and the thermostable MTAP of Aeropyrum pernix (ApMTAP) was described to accept a wide range of modified nucleosides as substrates. Therefore, it is an interesting biocatalyst for the synthesis of nucleoside analogs for industrial and therapeutic applications. To date, thermostable nucleoside phosphorylases were produced in shake flask cultivations using complex media. The drawback of this approach is low volumetric protein yields which hamper the wide‐spread application of the thermostable nucleoside phosphorylases in large scale. High cell density (HCD) cultivations allow the production of recombinant proteins with high volumetric yields, as final optical densities >100 can be achieved. Therefore, in this study, we developed a suitable protocol for HCD cultivations of ApMTAP. Initially, optimum expression conditions were determined in 24‐well plates using a fed‐batch medium. Subsequently, HCD cultivations were performed using E. coli BL21‐Gold cells, by employing a glucose‐limited fed‐batch strategy. Comparing different growth rates in stirred‐tank bioreactors, cultivations revealed that growth at maximum growth rates until induction resulted in the highest yields of ApMTAP. On a 500‐mL scale, final cell dry weights of 87.1–90.1 g L−1 were observed together with an overproduction of ApMTAP in a 1.9%–3.8% ratio of total protein. Compared to initially applied shake flask cultivations with terrific broth (TB) medium the volumetric yield increased by a factor of 136. After the purification of ApMTAP via heat treatment and affinity chromatography, a purity of more than 90% was determined. Activity testing revealed specific activities in the range of 0.21 ± 0.11 (low growth rate) to 3.99 ± 1.02 U mg−1 (growth at maximum growth rate). Hence, growth at maximum growth rate led to both an increased expression of the target protein and an increased specific enzyme activity. This study paves the way towards the application of thermostable nucleoside phosphorylases in industrial applications due to an improved heterologous expression in Escherichia coli.
Development and validation of a sensitive LC‐MS/MS method for simultaneous analysis of clopidogrel and simvastatin and their main metabolites in beagles: Application to pharmacokinetic drug interactions
Authors: Tang Xiao , Zhang Yu , Zhang Yue Yi , Zhang Zunjian , Tian Yuan 
Published: August 2023

AbstractClopidogrel (CLP) and simvastatin (SV) are commonly used in combination therapies as anti‐cardiovascular drugs. However, the effect of coadministration on the absorption and metabolism of the two drugs in vivo is not clear. This study developed and validated an LC‐MS/MS method for the simultaneous determination of CLP, clopidogrel carboxylic acid (CLPCA), 2‐oxo‐clopidogrel (2‐O‐CLP), SV, and simvastatin hydroxy acid (SVA) in beagle plasma. Chromatographic separation was achieved on an InfinityLab Poroshell 120 SB‐C8 column (2.1 × 100 mm, 2.7 μm) using methanol and 0.1% formic acid in water as the mobile phase at a flow rate of 0.3 mL/min in gradient mode. The lower limits of quantification are 0.1, 0.8, 0.05, 0.05, and 0.05 ng/mL for CLP, CLPCA, 2‐O‐CLP, SV, and SVA, respectively. The selectivity, linearity, accuracy, precision, extraction recovery, matrix effect, and stability were validated within acceptable criteria. This method was successfully applied to the pharmacokinetic drug interaction study between CLP and SV, and the results revealed that combined administration affected the metabolic rate of CLP, SV, and their metabolites. This study is the first to detect CLP, CLPCA, 2‐O‐CLP, SV, and SVA simultaneously.
Conventional Understanding of SARS‐CoV‐2 Mpro and Common Strategies for Developing Its Inhibitors
Authors: Zhou Kun , Chen Daquan 
Published: August 2023

AbstractThe Coronavirus Disease 2019 (COVID‐19) pandemic has brought a widespread influence on the world, especially in the face of sudden coronavirus infections, and there is still an urgent need for specific small molecule therapies to cope with possible future pandemics. The pathogen responsible for this pandemic is Severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2), and understanding its structure and lifecycle is beneficial for designing specific drugs of treatment for COVID‐19. The main protease (Mpro) which has conservative and specific advantages is essential for viral replication and transcription. It is regarded as one of the most potential targets for anti‐SARS‐CoV‐2 drug development. This review introduces the popular knowledge of SARS‐CoV‐2 Mpro in drug development and lists a series of design principles and relevant activities of advanced Mpro inhibitors, hoping to provide some new directions and ideas for researchers.
Imaging findings of succinate dehydrogenase‐deficient renal cell carcinoma
Authors: Liu Wenqin , Chen Guiwu , Meng Jiaxin , Liao Xiaomin , Xie Yuhuan 
Published: August 2023

Key Clinical MessageA 50‐year‐old man with a mass located in the left kidney was described by multimodal images, including ultrasonography, computed tomography, and magnetic resonance imaging. After surgical resection of the mass, pathological examination confirmed succinate dehydrogenase‐deficient renal cell carcinoma.AbstractSuccinate dehydrogenase‐deficient renal cell carcinoma (SDH‐deficient RCC) is a malignant tumor in the kidney associated with the loss of mitochondrial enzyme II. Due to its rarity, SDH‐deficient RCC is frequently misdiagnosed. We present multimodal imaging and pathologic findings in a 50‐year‐old male with SDH‐deficient RCC.
Water‐Soluble Arylazoisoxazole Photoswitches
Authors: Höglsperger Fabian , Larik Fayaz Ali , Bai Changzhuang , Seyfried Maximilian D. , Daniliuc Constantin , Klaasen Henning , Thordarson Pall , Beves Jonathon E. , Ravoo Bart Jan 
Published: August 2023

AbstractAzoheteroarenes are emerging as powerful alternatives to azobenzene molecular photoswitches. In this study, water‐soluble arylazoisoxazole photoswitches are introduced. UV/vis and NMR spectroscopy revealed moderate to very good photostationary states and reversible photoisomerization between the E‐ and Z‐isomers over multiple cycles with minimal photobleaching. Several arylazoisoxazoles form host–guest complexes with β‐ and γ‐cyclodextrin with significant differences in binding constants for each photoisomer as shown by isothermal titration calorimetry and NMR experiments, indicating their potential for photoresponsive host–guest chemistry in water. One carboxylic acid functionalized arylazoisoxazole can act as a hydrogelator, allowing gel properties to be manipulated reversibly with light. The hydrogel was characterized by rheological experiments, atom force microscopy and transmission electron microscopy. These results demonstrate that arylazoisoxazoles can find applications as molecular photoswitches in aqueous media.
Mechanistic Characterisation of Collinodiene Synthase, a Diterpene Synthase from Streptomyces collinus
Authors: Taizoumbe Kizerbo A. , Steiner Simon T. , Dickschat Jeroen S. 
Published: August 2023

AbstractTwo homologs of the diterpene synthase CotB2 from Streptomyces collinus (ScCotB2) and Streptomyces iakyrus (SiCotB2) were investigated for their products by in vitro incubations of the recombinant enzymes with geranylgeranyl pyrophosphate, followed by compound isolation and structure elucidation by NMR. ScCotB2 produced the new compound collinodiene, besides the canonical CotB2 product cyclooctat‐9‐en‐7‐ol, dolabella‐3,7,18‐triene and dolabella‐3,7,12‐triene, while SiCotB2 gave mainly cyclooctat‐9‐en‐7‐ol and only traces of dolabella‐3,7,18‐triene. The cyclisation mechanism towards the ScCotB2 products and their absolute configurations were investigated through isotopic labelling experiments.