bluuebunny/crossref_metadata_2025_split huggingface dataset:
Concurrent Enhancement of Acetylene Uptake Capacity and Selectivity by Progressive Core Expansion and Extra‐Framework Anions in Pore‐Space‐Partitioned Metal–Organic Frameworks
Authors: Hong Anh N. , Wang Yanxiang , Chen Yichong , Yang Huajun , Kusumoputro Emily , Bu Xianhui , Feng Pingyun 
Published: December 2022

AbstractA multi‐stage core‐expansion method is proposed here as one component of the integrative binding‐site/extender/core‐expansion (BEC) strategy. The conceptual deconstruction of the partitioning ligand into three editable parts draws our focus onto progressive core expansion and allows the optimization of both acetylene uptake and selectivity. The effectiveness of this strategy is shown through a family of eight cationic pore‐partitioned materials containing three different partitioning ligands and various counter anions. The optimized structure, Co3‐cpt‐tph‐Cl (Hcpt=4‐(p‐carboxyphenyl)‐1,2,4‐triazole, H‐tph=(2,5,8‐tri‐(4‐pyridyl)‐1,3,4,6,7,9‐hexaazaphenalene) with the largest surface area and highest C2H2 uptake capacity (200 cm3/g at 298 K), also exhibits (desirably) the lowest CO2 uptake and hence the highest C2H2/CO2 selectivity. The successful boost in both C2H2 capacity and IAST selectivity allows Co3‐cpt‐tph‐Cl to rank among the best crystalline porous materials, ionic MOFs in particular, for C2H2 uptake and C2H2/CO2 experimental breakthrough separation.
Aqueous Room‐Temperature Phosphorescence from Assembled Phosphors for Analytical Detection†
Authors: Cao Peisheng , Chen Qian , Wu Peng 
Published: December 2022

Comprehensive SummaryRoom‐temperature phosphorescence (RTP) has gained much attention in organic light‐emitting diodes (OLEDs), anti‐counterfeiting, encryption and bioimaging. However, efficient RTP is typically difficult due to the spin‐forbidden transition nature and susceptibility to environment quenching. In aqueous phase, such quenching is much more pronounced, leading to the collection of aqueous RTP even more challenging. Assembly systems (either organic or inorganic), provide an excellent microenvironment for accommodating of phosphors in aqueous phase, due to the excluding of typical phosphorescence quenchers (H2O and O2) and rigidification of phosphorescent molecules for inhibition of non‐radiative transitions (molecular motions). Herein, we summarized the recent progress in harvesting RTP from aqueous systems via various assembling strategies, including small molecules, supramolecular inclusion, and inorganic assembly. More specifically, the analytical explorations of these systems were discussed, from the perspective of the relationship between analytes and phosphorescence. Last, the further developments of aqueous RTP analysis were also prospected.
Identifying monoclonal gammopathy of undetermined significance from electronic health records
Authors: Tanenbaum Hilary C. , Birmann Brenda M. , Bertrand Kimberly A. , Teras Lauren R. , Krishnan Amrita Y. , Pourhassan Hoda , Goldsmith Scott , Cannavale Kimberly , Wang Sophia S. , Chao Chun R. 
Published: December 2022

AbstractBackgroundMonoclonal gammopathy of undetermined significance (MGUS) precedes multiple myeloma (MM). Use of electronic health records may facilitate large‐scale epidemiologic research to elucidate risk factors for the progression of MGUS to MM or other lymphoid malignancies.AimsWe evaluated the accuracy of an electronic health records‐based approach for identifying clinically diagnosed MGUS cases for inclusion in studies of patient outcomes/ progression risk.Methods and ResultsData were retrieved from Kaiser Permanente Southern California's comprehensive electronic health records, which contain documentation of all outpatient and inpatient visits, laboratory tests, diagnosis codes and a cancer registry. We ascertained potential MGUS cases diagnosed between 2008 and 2014 using the presence of an MGUS ICD‐9 diagnosis code (273.1). We initially excluded those diagnosed with MM within 6 months after MGUS diagnosis, then subsequently those with any lymphoid malignancy diagnosis from 2007 to 2014. We reviewed medical charts for 100 randomly selected potential cases for evidence of a physician diagnosis of MGUS, which served as our gold standard for case confirmation. To assess sensitivity, we also investigated the presence of the ICD‐9 code in the records of 40 randomly selected and chart review‐confirmed MGUS cases among patients with a laboratory report of elevated circulating monoclonal (M‐) protein (a key test for MGUS diagnosis) and no subsequent lymphoid malignancy (as described above).The positive predictive value (PPV) for the ICD‐9 code was 98%. All MGUS cases confirmed by chart review also had confirmatory laboratory test results. Of the confirmed cases first identified via M‐protein test results, 88% also had the ICD‐9 diagnosis code.ConclusionThe diagnosis code‐based approach has excellent PPV and likely high sensitivity for detecting clinically diagnosed MGUS. The generalizability of this approach outside an integrated healthcare system warrants further evaluation.
Screening Method for the Identification of Compounds That Activate Pregnane X Receptor
Authors: Lynch Caitlin , Sakamuru Srilatha , Xia Menghang 
Published: December 2022

AbstractThe pregnane X receptor (PXR) is a nuclear receptor found mainly in the liver and intestine, whose main function is to regulate the expression of drug‐metabolizing enzymes and transporters. Recently, it has been noted that PXR plays critical roles in energy homeostasis, immune response, and cancer. Therefore, identifying chemicals or compounds that can modulate PXR is of great interest, as these can result in downstream toxicity or, alternatively, may have therapeutic potential. Testing one compound at a time for PXR activity would be inefficient and take thousands of hours for large compound libraries. Here, we describe a high‐throughput screening method that encompasses plating and treating HepG2‐CYP3A4‐hPXR cells in a 1536‐well plate, as well as reading and interpreting assay (e.g., luciferase reporter gene activity) endpoints. These cells are stably transfected with a human PXR expression vector and CYP3A4‐promoter‐driven luciferase reporter vector, allowing the identification of compounds that activate PXR through cytochrome 450 3A4. We also describe how to analyze the data from each assay and explain follow‐up steps, namely pharmacological characterization and quantitative polymerase chain reaction (qPCR) assays, which can be performed to confirm results from the original screen. These methods can be used to identify and confirm hPXR activators after completion of a compound screening. Published 2022. This article is a U.S. Government work and is in the public domain in the USA. Current Protocols published by Wiley Periodicals LLC.Basic Protocol 1: Establishment of a high‐throughput assay to identify hPXR activatorsBasic Protocol 2: Quantitative high‐throughput screening a compound library to classify hPXR activatorsBasic Protocol 3: Performing pharmacological characterization and qPCR assays to confirm hPXR activators
Comparison of treatment effects between two types of facemasks in early Class III patients
Authors: Lee Nam‐Ki , Kim So‐Hyun , Park Jae Hyun , Son Dong‐Whan , Choi Tae‐Hyun 
Published: December 2022

AbstractObjectiveTo compare the short‐term treatment effects between two types of facemasks in skeletal Class III patients.Materials and MethodsThis retrospective study included 40 skeletal Class III subjects (mean age: 7.7 years) who had been treated with protraction facemasks with forehead straps (PFFS) or Petit type facemasks (PTF). Lateral cephalograms were analyzed at pretreatment (T1) and posttreatment (T2) with an average interval of 9 months.ResultsAt T1, PFFS and PTF groups showed similar sagittal, vertical dentoskeletal patterns. From T1 to T2, both groups presented significant forward movement of the maxilla, posterior movement and clockwise rotation of the mandible (all p < .001), labioversion of the maxillary incisors, and linguoversion of the mandibular incisors. They showed increased overjet (p < .001). Although there were no significant differences in the number of changes in most dentoskeletal variables between the two groups, the PFFS group showed more anterior rotation of the palatal plane and backward rotation of the mandible compared to the PTF group, resulting in a significant decrease (−0.42 mm) in overbite (p < .05).ConclusionsBoth PFFS and PTF showed no significant differences in most skeletal and dental changes, except for overbite. These findings might be helpful for clinicians in selecting the types of facemasks for growing Class III malocclusion patients.
Evaluation of the efficacy of mineral trioxide aggregate and bioceramic putty in primary molar pulpotomy with symptoms of irreversible pulpitis (a randomized‐controlled trial)
Authors: Alnassar Ibrahim , Altinawi Mohamed , Rekab Mohammad Salem , Alzoubi Hasan , Abdo Anas 
Published: December 2022

AbstractObjectivesPreserving the primary teeth is important, as they play an important role in the integrity of the dental arch, the development of the craniofacial complex, speech, and chewing. This study aimed to evaluate the effectiveness of both Mineral Trioxide Aggregate (MTA) and Bioceramic putty in primary molar pulpotomy with symptoms of irreversible pulpitis.Materials and MethodsIn this study, 40 s primary mandibular molars in 40 healthy children aged 6−8 years were examined and classified into 2 groups according to the material: group A, with 20 primary molars capped by MTA, and group B, with 20 teeth capped by Bioceramic putty. Clinical and radiographic evaluation of the treatment results was carried out after 1 week, 3 months, 6 months, 9 months, and 1 year.ResultsClinical and radiological success rates in the MTA group reached 95%, where a case of failure was observed after a year of follow‐up. In the Bioceramic group, the success rate reached 100% after a year of follow‐up, without any statistically significant differences between groups (p = .311).ConclusionsPulpotomy using biocompatibility materials (MTA‐Bioceramic) in primary molars with symptoms of irreversible pulpitis is considered effective due to the better advantages of the use of Bioceramic over MTA. This clinical trial was approved by Australian New Zealand Clinical Trials (12621001631897).
Lignin Stabilization and Carbohydrate Nature in H‐transfer Reductive Catalytic Fractionation: The Role of Solvent Fractionation of Lignin Oil in Structural Profiling**
Authors: Rinken Raul , Posthuma Dean , Rinaldi Roberto 
Published: December 2022

AbstractReductive Catalytic Fractionation (RCF) of lignocellulosic materials produces lignin oil rich in monomer products and high‐quality cellulosic pulps. RCF lignin oil also contains lignin oligomers/polymers and hemicellulose‐derived carbohydrates. The variety of components makes lignin oil a complex matrix for analytical methods. As a result, the signals are often convoluted and overlapped, making detecting and quantifying key intermediates challenging. Therefore, to investigate the mechanisms underlining lignin stabilization and elucidate the structural features of carbohydrates occurring in the RCF lignin oil, fractionation methods reducing the RCF lignin oil complexity are required. This report examines the solvent fractionation of RCF lignin oil as a facile method for producing lignin oil fractions for advanced characterization. Solvent fractionation uses small volumes of environmentally benign solvents (methanol, acetone, and ethyl acetate) to produce multigram lignin fractions comprising products in different molecular weight ranges. This feature allows the determination of structural heterogeneity across the entire molecular weight distribution of the RCF lignin oil by high‐resolution HSQC NMR spectroscopy. This study provides detailed insight into the role of the hydrogenation catalyst (Raney Ni) in stabilizing lignin fragments and defining the structural features of hemicellulose‐derived carbohydrates in lignin oil obtained by the H‐transfer RCF process.
Enhancing parameter identification of electrochemical double layer capacitors by fractional‐order equivalent impedance models and Levy flight strategy
Authors: Chen Xi , Pei Mani 
Published: December 2022

SummaryThis paper focuses on the parameter identification issue of electrochemical double layer capacitors (EDLCs). The superiority of the fractional‐order equivalent impedance model is revealed mathematically and electrochemically by analyzing the variation trends of different models and the general electrochemical impedance spectroscopy (EIS) of EDLCs. Since the fractional‐order models can be used to describe the long‐tailed variation trend of the EIS of EDLCs in the low‐frequency band and can reflect the self‐charging phenomenon of EDLCs, the accuracy of parameter identification can be ensured. In addition, the idea of Levy flight is introduced and combined with the intelligent algorithms in the parameter identification process, thus accelerating the convergence rate of the parameter identification process. At the same time, the problem of nonconvex fitness function falling into local optimum can be solved. To confirm the effectiveness and superiority of this work, we provided diverse test scenarios. We used three different types of EDLCs, while a series of scenarios with or without Levy flight strategy were included in the tests. In our work, we compared not only the accuracy of the parameter identification but also the convergence rate of the identification process. The test results show that, by applying the proposed scheme, the sum of square error (SSE) between experiments and parameter identification results is less than 1.9%. Moreover, the convergence rate of the parameter identification process was improved. In extreme conditions, the convergence rate is 1287% faster than the schemes without Levy flight strategy.
Anlotinib improves bile duct ligature‐induced liver fibrosis in rats via antiangiogenesis regulated by VEGFR2/mTOR pathway
Authors: Lei Jun , Li Qing , Xu Hongyan , Luo Ming , Liu Zhiwen , Xiang Deng , Chen Peiqun 
Published: December 2022

AbstractCholestasis is a main clinical feature of biliary atresia (BA), which leads to liver fibrosis (LF). The focus of BA treatment is preventing and slowing the progress of LF. This study reports the improvement effect of anlotinib on common bile duct ligature (BDL)‐induced LF in young rats. The BDL young rats were treated with anlotinib and the serum levels of aspartate aminotransferase, alanine aminotransferase, albumin, and total bilirubin were determined. Histological staining was performed and pathological changes in liver tissue were observed. The expression levels of α‐SMA, collagen I, CD31, TGF‐β1, phospho‐VEGFR2, phospho‐4E/BP1, and phospho‐S6K1 were determined. The results showed that anlotinib significantly improved the liver function and histopathological injury of BDL rats, inhibited the deposition of collagen and hepatocyte apoptosis, and downregulated the protein expression of α‐SMA and collagen I. Furthermore, anlotinib treatment significantly inhibited microvascular formation in the liver and downregulated the expression level of phospho‐VEGFR2, thereby suggesting that the antifibrosis effect of anlotinib may be achieved by antiangiogenesis. In addition, anlotinib downregulated the expression of phospho‐S6K1 and upregulated the expression of phospho‐4E/BP1, two downstream proteins of the mammalian target of rapamycin (mTOR) pathway. MHY1485, an agonist of mTOR, significantly reversed the inhibitory effect of anlotinib on angiogenesis and LF but did not influence the effect of anlotinib on the downregulation of phospho‐VEGFR2 expression. Together, the above‐mentioned results suggest that the effect of anlotinib on BDL‐induced LF involves at least antiangiogenesis regulated by the VEGFR2/mTOR signaling pathway.
Avian species richness and abundance show stronger responses to bison grazing intensity than to ecosystem productivity
Authors: Fagre Danielle A. , Janousek William M. , Dreitz Victoria J. 
Published: December 2022

AbstractTemperate grassland ecosystems are one of the most threatened ecosystems worldwide, and their loss endangers the grassland songbirds that rely upon them. This guild of birds has shown long‐term declines in North America. At the same time, American bison (Bison bison) are becoming more common through reintroductions, and they may make significant modifications to grassland songbird habitat. To support conservation for this guild, we sought to understand the importance of bison grazing and ecosystem productivity to the species richness, occupancy, and abundance of this avian community. We conducted dependent double‐observer bird counts, measured bison grazing intensity with patty counts, and used remote‐sensed normalized difference vegetation index (NDVI) data to measure ecosystem productivity. Our work took place in the National Bison Range near Moiese, Montana and in Yellowstone National Park in Wyoming. We found that species richness was positively correlated with patty counts and had a weak negative correlation with NDVI. Occupancy probability for six of seven grassland songbird species was positively correlated with patty counts, and for six of seven species was negatively correlated with NDVI. Abundance of vesper sparrow (Pooecetes graminueus) and western meadowlark (Sturnella neglecta) were positively correlated with patty counts, although for western meadowlark, this trend became less positive with increasing patty counts. Our work suggests that managers may want to encourage a broad range of bison grazing intensities to ensure that vegetative conditions related to bison grazing are present for all species.
Nanopore short‐read sequencing: A quick, cost‐effective and accurate method for DNA metabarcoding
Authors: van der Reis Aimee L. , Beckley Lynnath E. , Olivar M. Pilar , Jeffs Andrew G. 
Published: December 2022

AbstractDietary and predator–prey studies are more frequently relying on DNA metabarcoding methods, typically achieving results that have a better taxonomic resolution (e.g., species‐level) than previous methods. With the continuous advancement in sequencing technology, what was previously accessible only as a large, fixed structure in a laboratory, which had a limited number of users, has now advanced to a small and readily usable device. In this study, we used the gut (content and lining) from juvenile lanternfish (Hygophum) specimens to compare the short‐read sequencing capability of the portable Nanopore MinION with the Illumina MiSeq. Primers common in dietary DNA metabarcoding work (COI “Leray primers” and 18S rRNA V4 “Zhan primers”) were used, with an additional comparison of cost‐effective COI “Lobo primers” (targeting the same COI fragment) for the proficiency in species detection of a broad range of taxa. Our results indicate high congruency between sequencing machines for, not only taxonomic assignments, but also relative read abundance of the main dietary items. We also identified that Nanopore sequencing is more cost‐effective. The Lobo primers are comparable to that of Leray, but substantially reduce the primer set price without compromising detection of taxa. Using both COI and 18S broadened the taxonomic scope, providing greater prey detection. Overall, this preliminary study was successful in creating a foundation for future dietary work involving larvae and transformation stage fishes whereby the content of the gut need not be separated from the gut lining to detect prey. The Hygophum diet detected here aligns with previous research that suggests the main dietary items to be calanoid copepods, but using molecular methods, soft prey was more readily identified compared to studies using visual methods of identification of dietary items. Overall, this study found that Nanopore sequencing is suitable for short‐read DNA metabarcoding and can provide rapid access to sequencing results.
Copper‐Based Nanoparticles as Antibacterial Agents
Authors: Yimeng Su , Huilun Xu , Ziming Liao , Kejun Liu , Chaima Merzougui , Xiangyu Zhang , Yinchun Hu , Yan Wei , Di Huang 
Published: December 2022

AbstractOver the past few decades, the resistance of different pathogenic bacteria to various antibiotics has gradually increased. In order to solve the problems of this modern era, metal nanoparticles have attracted more attention than ever. Copper has been recognized as a non‐toxic, safe inorganic material and cheap antibacterial or antifungal agent, showing potential antibacterial effect in many biomedical fields. This interest has accelerated the generation of many novel methods for the synthesis of copper‐based nanoparticles. Due to the non‐toxicity and safety requirements of antibacterial agents, the recent green synthesis of copper‐based nanoparticles is gradually replacing the traditional methods. In addition, the antibacterial mechanism of copper‐based nanoparticles has provoked great curiosity. This review summarizes the synthetic methods, the possible antibacterial mechanisms and applications of copper‐based nanoparticles. Additionally, the application prospects of copper‐based nanoparticle antibacterial agent in biomedical applications and clinical field have been described and discussed.
Multicomponent Synthesis of Purines and Pyrimidines: From the Origin of Life to New Sustainable Approaches for Drug‐Discovery Applications
Authors: Grazia Martina Maria , Giannessi Lisa , Radi Marco 
Published: December 2022

AbstractIt is widely accepted that purines and pyrimidines, the building blocks that gave origin to life on our planet, were created through multicomponent reactions (MCRs) on early abiotic Earth. These heterocyclic scaffolds gradually evolved into a wide range of biologically relevant molecules regulating many different physiological processes and thus becoming widely exploited as templates for the development of new drugs. Accordingly, over the years, the synthetic community has dedicated many efforts in the attempt to hypothesize and replicate the original abiotic synthesis of purines and pyrimidines, thus developing a number of multicomponent synthesis to access these scaffolds. The following evolution of synthetic chemistry towards green approaches for the production of new molecules and the recent interest in pharmaceutical sustainability underlines the importance of multicomponent synthesis of new heterocycles. This review article provides an overview of the most important multicomponent approaches for the synthesis of purine and pyrimidine derivatives for potential pharmacological applications.
Phosphine‐Catalyzed [3+2] Cycloaddition of Aza‐Aurones and Allenoates: Enantioselective Synthesis of 2‐Spirocyclopentyl‐Indolin‐3‐Ones
Authors: Brambilla Elisa , Pozza Camilla , Rizzato Silvia , Abbiati Giorgio , Pirovano Valentina 
Published: December 2022

AbstractAn enantioselective phosphine‐catalyzed [3+2] cycloaddition between aza‐aurones and allenoates is here described. The reaction proceeded under mild reaction conditions to afford 2‐spirocyclopentyl indolin‐3‐one derivatives as single γ‐isomer and with high levels of stereocontrol.