bluuebunny/crossref_metadata_2025_split huggingface dataset:
Topological Analysis of the Electron Density of Molecules with Bridging Hydrogens To Tackle the Chemical Structure Monolith
Authors: Rowland Christina , Healy Eamonn F. 
Published: November 2022

AbstractThe assumption, common at the undergraduate level, that hydrogen with its single electron can form only one covalent bond is belied by the many structures that have been characterized with hydrogens bonded to two atoms. The 3‐center bond responsible for such bridging hydrogens is facilitated by the spherical distribution inherent to the 1s electron. Here we demonstrate how topological analysis of the electron density of molecules with bridging hydrogens can inform a deeper appreciation of the character and complexity of the chemical bond. DFT calculations are performed to generate the electron density for the experimental structures of a range of complexes with bridging hydrogens. Analysis using both the Atoms in Molecules (AIM) perspective and a range of electron indicators and localization functions demonstrates the utility of topological analysis for the detection and characterization of multi‐center bonding.
Ruthenium(II)‐Catalyzed Annulation of 2‐Arylimidazoles with Arylglyoxals: Synthesis of 5‐Hydroxyimidazo[2,1‐a]isoquinolin‐6(5H)‐ones and Their Photophysical Studies
Authors: Sonam  , Nandwana Nitesh K. , Shinde Vikki N. , Rangan Krishnan , Kumar Anil 
Published: November 2022

AbstractSynthesis of novel 5‐hydroxyimidazo[2,1‐a]isoquinolin‐6(5H)‐ones have been achieved by Ru(II)‐catalyzed reaction of 2‐arylimidazoles with arylglyoxals. The method provided moderate to good yields of 5‐hydroxyimidazo[2,1‐a]isoquinolin‐6(5H)‐ones and is amenable to gram‐scale synthesis. The reaction involves imidazole‐directed Ru(II)‐catalyzed ortho‐dicarbonylation followed by nucleophilic cyclization of the NH‐group with the carbonyl group. Photophysical properties of the newly synthesized 5‐hydroxyimidazo‐[2,1‐a]isoquinolin‐6(5H)‐ones were investigated.
C−H Functionalization Reactions of 1‐Aryl‐5‐pyrazolones
Authors: Purohit Vishal B. , Prajapati Ronak V. , Prajapati Vaibhav D. , Karad Sharad C. , Sapariya Nirav H. , Avalani Jemin R. , Raval Dipak K. 
Published: November 2022

AbstractIn this contribution, we provide a comprehensive overview on the C−H activation/functionalization reactions of 1‐aryl‐5‐pyrazolones, in particular, 1‐aryl‐3‐methyl‐1H‐pyrazol‐5(4H)‐ones (edaravones) and their N‐methyl analogues i. e., antipyrines covering the literature since 2013 (the year of the first report). This review summarizes the recent progress in C−H functionalization reactions of 1‐aryl‐5‐pyrazolones including edaravone and antipyrine derivatives under transition‐metal‐catalyzed/free conditions and discusses the related mechanism according to the role of the catalytic species.
Transmembrane Chloride Transport by Diphosphine‐Pd(II) Complexes: Effect of the Ligand Geometry
Authors: Vidal Alessio , Tosolini Massimo , Balducci Gabriele , Tecilla Paolo 
Published: November 2022

AbstractTransmembrane chloride transport is a fundamental biological process, and its impairment is at the origin of severe genetic diseases such as cystic fibrosis. Synthetic anion carriers able to transport chloride and other anions across biological membranes are considered as putative candidates for treating these syndromes. We have proposed diphosphine–Pd(II) complexes as a new class of anion carriers and in this contribution we have investigated the ionophoric activity of a family of Pd(II) complexes with diphosphine chelating ligands differing for the ligand bite angle that is varied from 71° (dppm) to 98° (dppb). Moreover, in the case of the dppe ligand we also investigated the effect of the introduction in the ligand structure of alkyl substituents of increasing length and hydrophobicity and of electron donor and withdrawing substituents. All the complexes investigated are able to transport chloride across the phospholipid membrane of liposomes and the most important parameter influencing their relative efficacy is the lipophilicity of the complex with the highest activity observed for [Pd(pEt‐dppe)Cl2]. On the contrary the bite angle of the ligand appears to be not relevant while the activity is diminished by the insertion of both EWG and EDG groups on the phenyl substituents of the phosphine ligands. Finally, also Ni(II) and Cu(I) complexes display ionophoric activity demonstrating that the transport ability of metal complexes is not limited to Pd(II) metal ion.
Total Synthesis of Arylnaphthalene Lignans through a Photochemical Key Step
Authors: Wessig Pablo , Badetko Dominik , Wichterich Lukas , Sperlich Eric , Kelling Alexandra 
Published: November 2022

AbstractThe total syntheses of three arylnaphthalene lignans (ANLs) were developed: Vitrofolal E (1), Noralashinol C (2), and Ternifoliuslignan E (3). These natural products have in common a missing substituent in 2‐position of the naphthalene moiety (2H‐ANLs). The key step of these syntheses is a regioselective intramolecular Photo‐Dehydro‐Diels‐Alder (PDDA) reaction with (1,7)naphthalenophanes as primary products. A further improvement of the photochemical step was achieved by triplet sensitization with xanthone, allowing the use of more efficient UVA lamps. It should be noted that this work is a continuation of a previous publication about the total synthesis of lignans using the PDDA reaction.[1]
Fate of Microplastic Fibers in the Coelomic Fluid of the Sea Cucumber Apostichopus japonicus
Authors: Mohsen Mohamed , Chenggang Lin , Sui Yanming , Yang Hongsheng 
Published: November 2022

Abstract
Sea cucumbers are economical and ecologically important species, playing a crucial role in nutrient recycling in the ocean and providing valuable bioactive compounds for nutrition. Previous research has demonstrated that microplastic fibers, which are widely recognized as emerging contaminants, are transferred to the perivisceral coelomic fluid during respiration in sea cucumbers; however, their fate in sea cucumbers is still not well understood. We tracked the status of sea cucumbers (Apostichopus japonicus) with polyester microplastic fibers in their coelomic fluid in clean water. The results showed that after transferring sea cucumbers to clean water, the number of microplastic fibers transferred significantly decreased in the coelomic fluid, but at least one microplastic fiber was found up to 60 days. In addition, sea cucumbers recovered from the effect of microplastic fiber transfer, as indicated by enzyme levels and histological observations. Furthermore, single microplastic fiber transfer over a 60-day farmed period did not significantly affect the growth of sea cucumbers. However, repetitive microplastic fiber transfer (i.e., twice and thrice a week over 60 days) significantly decreased the growth rate (p &lt; 0.05). Accordingly, increasing microplastic fibers in sea cucumber habitats pose a threat to sea cucumbers because they can disrupt development. Thus, farmers are advised to select locations for farming sea cucumbers where low microplastic fiber concentrations are expected. Environ Toxicol Chem 2023;42:205–212. © 2022 SETAC
The role of altered microRNA expression in premalignant and malignant head and neck lesions with epithelial origin
Authors: Farshbaf Alieh , Mohajertehran Farnaz , Sahebkar Amirhossein , Garmei Yasaman , Sabbagh Parisa , Mohtasham Nooshin 
Published: November 2022

AbstractBackground and AimsThe premalignant lesions of the oral cavity carry a risk of transformation to malignancy. Hence, early diagnosis followed by timely intervention remarkably affects the prognosis of patients. During tumorigenesis, particular microRNAs (miRNAs) show altered expressions and because of their post transcriptionally regulatory role could provide favorable diagnostic, therapeutic, or prognostic values in head and neck cancers.MethodsIn this review, we have demonstrated diagnostic, prognostic, and potential therapeutic roles of some miRNAs associated with oral premalignant and malignant lesions based on previous validate studies.ResultsIt is previously documented that dysregulation of miRNAs contributes to cancer development and progression. MiRNAs could be tumor suppressors that normally suppress cell proliferation, differentiation, and apoptosis or play as oncogenes that improved tumorigenesis process. Altered expression of miRNAs has also been reported in premalignant oral epithelial lesions such as leukoplakia, oral submucous fibrosis, oral lichen planus and some malignant carcinoma like oral squamous cell, verrucous, spindle cell, Merkel cell carcinoma and basal cell.ConclusionSome of miRNAs could be new therapeutic candidates in miRNA‐based target gene therapy. Although more investigations are required to identify the most favorable miRNA candidate, altered expression of some miRNAs could be used as biomarkers in premalignant lesions and oral cancers with high sensitivity and specificity.
Antiplatelet drugs and breast cancer risk in a large nationwide Danish case‐control study
Authors: Cairat Manon , Pottegård Anton , Olesen Morten , Dossus Laure , Fournier Agnès , Hicks Blánaid 
Published: November 2022

AbstractLow‐dose aspirin has been hypothesized to prevent cancer risk by inhibiting platelet aggregation. However, the anti‐cancer effect of low‐dose aspirin has recently been questioned and its effect on breast cancer development remains unclear. The impact of other antiplatelet drugs on breast cancer risk has rarely been evaluated. Thus, this study aimed to investigate the associations between breast cancer risk and antiplatelet drug use in a nationwide nested case‐control study. From the Danish healthcare registries, we identified as cases all women with invasive breast cancer diagnosis between 2001 and 2018 (n = 68 852). The date of diagnosis corresponded to the index date. We matched cases to 10 population controls on age and calendar time, using risk set sampling. Controls were assigned the same index date as their matched case. We used the prescription registry to identify exposure to low‐dose aspirin, clopidogrel and dipyridamole. We defined ever use of antiplatelet drugs as at least two prescriptions filled up to 1 year before the index date. We applied conditional logistic regression to calculate odds ratios (ORs) and 95% confidence intervals for breast cancer associated with the use of antiplatelet drugs, overall, by breast cancer subtype and by cumulative dose. Twelve percent of women had ever been exposed to low‐dose aspirin, 2% to clopidogrel and 2% to dipyridamole. In multivariable models, breast cancer risk was not associated with ever use of low‐dose aspirin (OR = 1.00 [0.97‐1.03]), clopidogrel (OR = 0.93 [0.87‐1.00]), and dipyridamole (OR = 1.02 [0.94‐1.10]), compared with never use, and there was no evidence of a dose‐response relation. However, we found an inverse association between dipyridamole use and breast cancer risk among women aged <55 years old, with suggestion of a dose‐response relationship (OR per 1000 Defined Daily Doses = 0.72 [0.54‐0.95]). Associations did not differ by breast cancer histological type, estrogen receptor status or clinical stage at diagnosis. Overall, the findings from this study do not support the use of antiplatelet drugs for breast cancer prevention.
Diabetes technology: A primer highlighting the role of the pharmacist
Authors: Hess Rick , Schumacher Christie , Whitley Heather P. , Reece Sara , Knezevich Emily L. , DeLa Peña Lea E. , Gross Benjamin , Knezevich Jon T. , Ginzburg Regina , Albanese Nicole P. , Isaacs Diana 
Published: November 2022

AbstractThe rapid advancement of technology has ushered in a new era of diabetes management, especially with regard to continuous glucose monitoring (CGM) and insulin delivery systems. Technology is changing at a fast pace and these tools can be unknown or confusing to people with diabetes. Pharmacists can play a major role in reducing barriers and facilitating shared decision‐making regarding the individualization of technology in diabetes care. The Endocrine and Metabolism PRN Research Committee solicited the PRN membership to draft an opinion paper on diabetes technology using the Identify‐Configure‐Collaborate (ICC) framework from the Association of Diabetes Care and Education Specialists. The primary goal of the opinion paper is to provide an educational primer to health care professionals interested in learning more about the emerging diabetes technology landscape and highlight the role of the pharmacist within the ICC framework.
Sex‐specific associations between cardiovascular risk factors and physical function: the Gambian Bone and Muscle Ageing Study
Authors: Zengin Ayse , Ó Breasail Mícheál , Parsons Camille M. , Jarjou Landing M. , Janha Ramatoulie E. , Jobe Modou , Prentice Ann , Cooper Cyrus , Ebeling Peter R. , Ward Kate A. 
Published: November 2022

AbstractBackgroundIn Sub‐Saharan Africa, the prevalence of obesity, cardiovascular disease (CVD) and impaired physical function are increasing due to rapid urbanization. We investigated sex differences in associations between cardiac workload, arterial stiffness, peripheral vascular calcification (PVC) and physical function in Gambian adults.MethodsA total of 488 Gambians aged 40–75+ years were recruited (men: 239; and women: 249). Supine blood pressure and heart rate were measured to calculate rate pressure product and pulse pressure. Presence of PVC was determined from tibia peripheral quantitative computed tomography scans. Physical function was assessed by chair rise test (CRT), single two‐legged jump (s2LJ) and hand grip strength (HGS). Body composition was measured by dual‐energy x‐ray absorptiometry; body size corrections were used to calculate fat mass index (FMI) and appendicular lean mass index (ALMI). Estimated glomerular filtration rate (eGFR) was measured from fasting blood samples. The relationship between rate pressure product, pulse pressure or presence of PVC (independent variable) with physical function parameters (dependent variable) was tested using linear regression. Sex‐interactions were tested (p‐int) adjusting for age, eGFR and ALMI/FMI. Results were expressed as mean differences between men and women with 95% confidence intervals. Mediation analyses used ALMI/FMI as mediator.ResultsWomen weighed less (54.7 kg ± 10.3 vs. 59.9 kg ± 10.3) and were shorter (157.8 cm ± 6.0 vs. 169.2 cm ± 7.0) compared with men (both P < 0.0001). Women had higher FMI (6.8 kg/m2 ± 2.9 vs. 2.9 kg/m2 ± 2.0, P < 0.0001) and eGFR (263.7 mL/min/1.73 m2 ± 133.1 vs. 237.6 mL/min/1.73 m2 ± 134.6), but lower ALMI (6.2 kg/m2 ± 0.7 vs. 8.02 kg/m2 ± 1.0, P < 0.0001) compared with men. There were significant mean differences between men and women in rate pressure product and s2LJ power (−1.08 [−1.21, −0.95]) and force (−0.57 [−0.63, −0.51]), only after adjusting for age, eGFR and FMI. There were significant mean differences in the associations between pulse pressure and CRT power (−0.28 [−0.31, −0.25]), s2LJ power (−1.07 [−1.20, −0.93]) and HGS (−11.94 [−13.35, −10.54]); these differences were greater after adjusting for age, eGFR and FMI, than ALMI. There were similar differences in the associations between PVC and physical function parameters. In men, FMI mediated the association between rate pressuree product and CRT power (P = 0.002), s2LJ force (P < 0.001) and s2LJ power (P = 0.001). ALMI did not mediate associations for either men or women.ConclusionsMultiple risk factors for CVD were associated with poorer physical function in men and were mediated by FMI. There is a need to identify strategies to slow/prevent the rising CVD burden and poor physical function in Sub‐Saharan Africa.
Global longitudinal strain is superior to ejection fraction for long‐term follow‐up after allogeneic hematopoietic stem cell transplantation
Authors: Watanabe Marika , Yakushijin Kimikazu , Tanaka Hidekazu , Chijiki Ruri , Saeki Miki , Hirakawa Yuri , Takakura Hidetomo , Usui Yutaro , Ichikawa Hiroya , Sakai Rina , Matsumoto Sakuya , Nagao Shigeki , Mizutani Yu , Kurata Keiji , Kitao Akihito , Miyata Yoshiharu , Saito Yasuyuki , Kawamoto Shinichiro , Yamamoto Katsuya , Ito Mitsuhiro , Matsuoka Hiroshi , Minami Hironobu 
Published: November 2022

AbstractGlobal longitudinal strain (GLS), a new cardiac parameter measured by the speckle‐tracking method, is reportedly more sensitive than ejection fraction (EF) in detecting slight cardiac dysfunction in heart failure patients. We validated the utility of GLS in allogeneic hematopoietic stem cell transplantation (HSCT) patients during a long‐term follow‐up. Medical records of patients who underwent allogeneic HSCT between 2013 and 2020 were reviewed retrospectively. We evaluated the last echocardiography performed before transplantation and those performed annually during the 5 years after transplantation. We also investigated newly diagnosed cardiac events, which developed after HSCT. Among 85 patients, 22 used cardioprotective drugs. The median follow‐up duration in surviving patients was 54.1 months (range, 2.9–92.6 months). GLS significantly decreased year by year, and patients taking cardioprotective agents tended to have a better GLS at 5 years than at 3 years, while EF did not change. Fifteen patients developed newly diagnosed cardiac events. Multivariate analysis revealed that low GLS and high serum ferritin levels at baseline were independently associated with the development of cardiac events. Therefore, we need a continuous follow‐up of cardiac function by GLS and prescription of cardioprotective drugs might be considered for HSCT patients with low GLS. Further research is warranted.
A refreshed approach to homology—Prioritizing epistemology over metaphysics
Authors: Minelli Alessandro 
Published: November 2022

AbstractUnease with the inclusion of “sameness” in Owen's definition of homology characterizes a substantial part of the literature on this subject, where this term has acquired an increasingly strict metaphysical flavor. Taken for granted the existence of body features that are “the same,” their existence has been explained by appealing to universal laws of form, as the product of common ancestry, or in terms of proximal causes responsible for the emergence of conserved developmental modules. However, a fundamentally different approach is possible, if we shift attention from metaphysics to epistemology. We may reword Owen's statement as follows: organs of different animals,in so far as they can be described as the samedespite any difference in form and function, are called homologues. The proposed framework provides an umbrella for both the traditional, all‐or‐nothing concept of homology, and the less fashionable alternatives of factorial or partial homology, as well as for an extension of homology from form to function. No less attractive is the prospect to handle alsoghost homologues, the body parts or organs of which there is non‐objective evidence in a given clade, but can nevertheless be represented, in a description that encapsulates some of the traits observable in their extant homologue in the sister clade. Stripped of its different and constraining metaphysical explanations, homology survives as ananchor conceptto which differentnomadic disciplinesand research agendas can be associated.
Improving the efficiency and biosafety of respiratory syncytial virus identification using a nucleic acid extraction‐free reagent
Authors: Qiu Shuyan , Xu Duo , Dai Jing , Zhang Li , Tian Xingui , Li Xiao , Chen Dehui , Zhou Rong , Liu Wenkuan 
Published: November 2022

AbstractRespiratory syncytial virus (RSV) is the most important virus that causes lower respiratory tract disease in children; efficient viral identification is an important component of disease prevention and treatment. Here, we developed and evaluated a ready‐to‐use (RTU) nucleic acid extraction‐free direct reagent for identification of RSV (RTU‐Direct test) in clinical samples. The limit of detection (LOD) of the RSV RTU‐Direct test was consistent with the LOD of the standard test using extracted nucleic acids. The virus inactivation ability of RTU‐Direct reagent was confirmed by viral infectivity assays involving RTU‐Direct‐treated samples containing RSV and human coronavirus OC43. RSV RNA stability was significantly better in RTU‐Direct reagent than in conventional virus transport medium (VTM) at room temperature and 4°C (p < 0.05). The clinical performance of the RTU‐Direct test was evaluated using 155 respiratory specimens from patients with suspected RSV infection. Positive agreement between the RTU‐Direct test and the VTM standard test was 100% (42/42); negative agreement was 99.1% (112/113), and the kappa statistic was 0.968 (p < 0.001). The distributions of Ct values did not significantly differ between the RTU‐Direct test and the standard test (p > 0.05). Overall, the RTU‐Direct reagent can improve the efficiency and biosafety of RSV detection, while reducing the cost of detection.
Novel “red‐bull sign” during cavotricuspid isthmus ablation: Indication of an ablation catheter stuck in the subeustachian pouch
Authors: Hirata Moyuru , Nagashima Koichi , Watanabe Ryuta , Wakamatsu Yuji , Otsuka Naoto , Hayashida Satoshi , Hirata Shu , Sawada Masanaru , Kurokawa Sayaka , Okumura Yasuo 
Published: November 2022

AbstractBackgroundA subeustachian pouch (SEP) often hinders the completion of a cavotricuspid isthmus (CTI) ablation of typical atrial flutter (AFL) and sometimes causes steam‐pops during a power‐controlled ablation. We hypothesized that real‐time bull's‐eye monitoring of the catheter surface temperature might be useful to locate the SEP where the temperature can rise rapidly, and a temperature‐controlled ablation might avoid steam pops. This study aimed to demonstrate this hypothesis.MethodsA temperature‐controlled CTI ablation with a QDOT MICRO™ catheter (n = 10) and a conventional power‐controlled CTI ablation (n = 10) were performed with an output power of 35 W. During the RF application, the bull's eye monitor for monitoring the catheter surface temperatures was assessed. A “red‐bull sign” was defined as an entire red‐colored bull's‐eye monitor, indicating that the catheter‐tip temperature of all 6 thermocouples rose rapidly over 47°C.ResultsIn a total of 115 lesions (12 ± 3 per patient), a “red‐bull sign” was observed in 39 (33.9%) lesions where the RF output was reduced to 26 ± 8 W. All 39 “red‐bull sign” lesions corresponded to the location of the SEP as delineated by ICE before the ablation. The red‐bull sign accurately indicated the presence of a SEP with a sensitivity of 84.7% and specificity of 100%. Bidirectional block of the CTI was completed in all patients in either catheter group without any steam‐pops.ConclusionReal‐time surface temperature monitoring and a red‐bull sign might be useful to detect the SEP. A temperature‐controlled CTI ablation with the QDOT MICRO catheter might be safe for avoiding steam pops.
Bacterial cellulose: Strategies for its production in the context of bioeconomy
Authors: Rocha André R. F. da Silva , Venturim Bárbara Côgo , Ellwanger Elena R. A. , Pagnan Caroline S. , Silveira Wendel B. da , Martin José Guilherme P. 
Published: November 2022

AbstractBacterial cellulose has advantages over plant‐derived cellulose, which make its use for industrial applications easier and more profitable. Its intrinsic properties have been stimulating the global biopolymer market, with strong growth expectations in the coming years. Several bacterial species are capable of producing bacterial cellulose under different culture conditions; in this context, strategies aimed at metabolic engineering and several possibilities of carbon sources have provided opportunities for the bacterial cellulose's biotechnological exploration. In this article, an overview of biosynthesis pathways in different carbon sources for the main producing microorganisms, metabolic flux under different growth conditions, and their influence on the structural and functional characteristics of bacterial cellulose is provided. In addition, the main industrial applications and ways to reduce costs and optimize its production using alternative sources are discussed, contributing to new insights on the exploitation of this biomaterial in the context of the bioeconomy.