bluuebunny/crossref_metadata_2025_split huggingface dataset:
Recent Advances in Bipolar Electrochemistry with Conducting Polymers
Authors: Salinas Gerardo , Arnaboldi Serena , Bouffier Laurent , Kuhn Alexander 
Published: October 2021

AbstractConducting polymers have been extensively studied due to their potential applications ranging from sensing to energy storage, and environmental remediation. They can be easily generated by electrosynthesis and have also very interesting electrochemical features, which have been mostly examined with classic electrochemical approaches. Bipolar electrochemistry offers an attractive alternative way to synthesize and characterize the physico‐chemical properties of conducting polymers. The wireless and asymmetric features of bipolar electrochemistry can be advantageously combined with the electroactivity, tunability and easy processability of conducting polymers. This synergy has been increasingly explored in recent years for the controlled electrogeneration, surface modification and characterization of different π‐conjugated polymers. This review summarizes the advances in this context and also discusses some unconventional applications such as wireless light‐emitting devices and actuators.
Failure‐Experiment‐Supported Optimization of Poorly Reproducible Synthetic Conditions for Novel Lanthanide Metal‐Organic Frameworks with Two‐Dimensional Secondary Building Units**
Authors: Kitamura Yu , Terado Emi , Zhang Zechen , Yoshikawa Hirofumi , Inose Tomoko , Uji‐i Hiroshi , Tanimizu Masaharu , Inokuchi Akihiro , Kamakura Yoshinobu , Tanaka Daisuke 
Published: October 2021

AbstractNovel metal–organic frameworks containing lanthanide double‐layer‐based secondary building units (KGF‐3) were synthesized by using machine learning (ML). Isolating pure KGF‐3 was challenging, and the synthesis was not reproducible because impurity phases were frequently obtained under the same synthetic conditions. Thus, dominant factors for the synthesis of KGF‐3 were identified, and its synthetic conditions were optimized by using two ML techniques. Cluster analysis was used to classify the obtained powder X‐ray diffractometry patterns of the products and thus automatically determine whether the experiments were successful. Decision‐tree analysis was used to visualize the experimental results, after extracting factors that mainly affected the synthetic reproducibility. Water‐adsorption isotherms revealed that KGF‐3 possesses unique hydrophilic pores. Impedance measurements demonstrated good proton conductivities (σ=5.2×10−4 S cm−1 for KGF‐3(Y)) at a high temperature (363 K) and relative humidity of 95 % RH.
Bioengineered Protein‐based Adhesives for Biomedical Applications
Authors: Sun Jing , Han Jiaying , Wang Fan , Liu Kai , Zhang Hongjie 
Published: October 2021

AbstractProtein‐based adhesives with their robust adhesion performance and excellent biocompatibility have been extensively explored over years. In particular, the unique adhesion behaviours of mussel and sandcastle worm inspired the development of synthetic adhesives. However, the chemical synthesized adhesives often demonstrate weak underwater adhesion performance and poor biocompatibility/biodegradability, limiting their further biomedical applications. In sharp contrast, genetically engineering endows the protein‐based adhesives the ability to maintain underwater adhesion property as well as biocompatibility/biodegradability. Herein, we outline recent advances in the design and development of protein‐based adhesives by genetic engineering. We summarize the fabrication and adhesion performance of elastin‐like polypeptide‐based adhesives, followed by mussel foot protein (mfp) based adhesives and other sources protein‐based adhesives, such as, spider silk spidroin and suckerin. In addition, the biomedical applications of these bioengineered protein‐based adhesives are presented. Finally, we give a brief summary and perspective on the future development of bioengineered protein‐based adhesives.
Hierarchical Self‐Assembly of Amphiphilic β‐C‐Glycosylbarbiturates into Multiresponsive Alginate‐Like Supramolecular Hydrogel Fibers and Vesicle Hydrogel
Authors: Yao Shun , Brahmi Robin , Portier François , Putaux Jean‐Luc , Chen Jing , Halila Sami 
Published: October 2021

AbstractOrdered molecular self‐assembly of glycoamphiphiles has been regarded as an attractive, practical and bottom‐up approach to obtain stable, structurally well‐defined, and functional mimics of natural polysaccharides. This study describes a versatile and rational design of carbohydrate‐based hydrogelators through N,N’‐substituted barbituric acid‐mediated Knoevenagel condensation onto unprotected carbohydrates in water. Amphiphilic N‐substituted β‐C‐maltosylbarbiturates self‐assembled into pH‐ and calcium‐triggered alginate‐like supramolecular hydrogel fibers with a multistimuli responsiveness to temperature, pH and competitive metal chelating agent. In addition, amphiphilic N,N’‐disubstituted β‐C‐maltosylbarbiturates formed vesicle gels in pure water that were scarcely observed for glyco‐hydrogelators. Finally, barbituric acid worked as a multitasking group allowing chemoselective ligation onto reducing‐end carbohydrates, structural diversity, stimuli‐sensitiveness, and supramolecular interactions by hydrogen bonding.
Bipyridine‐Modified DNA Three‐Way Junctions with Amide linkers: Metal‐Dependent Structure Induction and Self‐Sorting
Authors: Takezawa Yusuke , Sakakibara Shiori , Shionoya Mitsuhiko 
Published: October 2021

AbstractDNA three‐way junction (3WJ) structures are essential building blocks for the construction of DNA nanoarchitectures. We have synthesized a bipyridine (bpy)‐modified DNA 3WJ by using a newly designed bpy‐modified nucleoside, Ubpy‐3, in which a bpy ligand is tethered via a stable amide linker. The thermal stability of the bpy‐modified 3WJ was greatly enhanced by the formation of an interstrand NiII(bpy)3 complex at the junction core (ΔTm=+17.7 °C). Although the stereochemistry of the modification site differs from that of the previously reported bpy‐modified nucleoside Ubpy‐2, the degree of the NiII‐mediated stabilization observed with Ubpy‐3 was comparable to that of Ubpy‐2. Structure induction of the 3WJs and the duplexes was carried out by the addition or removal of NiII ions. Furthermore, NiII‐mediated self‐sorting of 3WJs was performed by using the bpy‐modified strands and their unmodified counterparts. Both transformations were driven by the formation of NiII(bpy)3 complexes. The structural induction and self‐sorting of bpy‐modified 3WJs are expected to have many potential applications in the development of metal‐responsive DNA materials.
Supramolecular Assemblies with Aggregation‐Induced Emission Properties for Sensing and Detection
Authors: Dai Dihua , Yang Jie , Yang Ying‐Wei 
Published: October 2021

AbstractThe fabrication of new supramolecular materials for real‐time detection of analytes including ions, organic pollutants, gases, biomolecules, and drugs is of pivotal importance in industrial manufacture, clinical treatment, and environmental remediation. Incorporating fluorescent molecules with distinct aggregation‐induced emission (AIE) effects into supramolecular assemblies has received much attention over the past two decades, owing to the remarkable performance of the AIE‐active supramolecular materials in sensing and detection. In this minireview, we summarize the recent progress of superior detection systems on the basis of supramolecular assemblies accompanied with AIE features. We envision that this minireview will be helpful and timely for relevant researchers to stimulate new thinking for constructing new AIE‐based supramolecular materials with advanced architectures for effective sensing and detection.
Investigation of the Organocatalytic Chlorination of 2‐Phenylpropanal
Authors: Mohr Lisa‐Marie , McCulley Christina H. , Blom Jakob , Lamhauge Johannes N. , Anker Jørgensen Karl 
Published: October 2021

AbstractResults of an examination of the organocatalytic enantioselective α‐chlorination of 2‐phenylpropanal are described. Synthetic investigation including the screening of primary and secondary aminocatalysts, many different reaction conditions, and other α‐branched aldehydes show that especially primary aminocatalysts can catalyze the formation of the α‐chloro branched aldehydes in good yields, but only with moderate enantioselectivities. In order to try to understand the challenge in obtaining high enantioselectivity for the aminocatalytic α‐chlorination of α‐branched aldehydes a series of experimental investigations were performed employing 2‐phenylpropanal as a model system. These investigations have been coupled with computational investigations, which provided important insight into the moderate enantioselectivity of this chlorination reaction. Analysis of the reaction showed, that the lack of control over the selectivity of formation of the (E)‐ and (Z)‐enamine intermediate, and the clustering of reaction barriers of possible reaction pathways help to rationalize difficulties in producing high enantioselectivity.
Hybrid light‐emitting devices for the straightforward readout of chiral information
Authors: Salinas Gerardo , Arnaboldi Serena , Bonetti Giorgia , Cirilli Roberto , Benincori Tiziana , Kuhn Alexander 
Published: October 2021

AbstractBipolar electrochemistry has gained increasing attention in recent years as an attractive transduction concept in analytical chemistry in general and, more specifically, in the frame of chiral recognition. Herein, we use this concept of wireless electrochemistry, based on the combination of the enantioselective oxidation of a chiral probe with the emission of light from a light‐emitting diode (LED), as an alternative for an easy and straightforward readout of the presence of chiral molecules in solution. A hybrid polymer‐microelectronic device was designed, using an inherently chiral oligomer, that is, oligo‐(3,3′‐dibenzothiophene) and a polypyrrole strip as the anode and cathode of a miniaturized LED. The wireless induced redox reactions trigger light emission when the probe with the right chirality is present in solution, whereas no light emission is observed for the opposite enantiomer. The average light intensity shows a linear correlation with the analyte concentration, and the concept opens the possibility to quantify the enantiomeric excess in mixtures of the molecular antipodes.
Evaluation of Groundwater Quality in the Mineralized Fields by Analytical Hierarchy Process‐Based Water Quality Index
Authors: Yılmazer Erkan , Kavurmaci Murat 
Published: October 2021

AbstractIn this study, an epithermal goldfields‐water quality index (EGF‐WQI) and the associated classification system have been proposed to define drinking water quality of the water resources in regions where epithermal gold mineralization exists. In this context, two hydrogeochemical data sets from 15 water resources are used. EGF‐WQI is designed using 21 different criteria under 4 main groups and 15 alternatives. To determine the importance and efficiency values of the criteria, analytical hierarchy method (AHP) is used. The water quality classification system is defined by 4 different categories, namely, “very good,” “good,” “acceptable,” and “inappropriate.” In order to ensure consistency of the findings, efficiency scores of the AHP method are compared with the results obtained from the technique for order preference by similarity to ideal solution and data envelopment analysis models. The index results obtained from AHP processes are converted into water quality distribution maps by using the Kriging interpolation method. EGF‐WQI results are observed to be compatible with the water quality standards developed by organizations such as the World Health Organization and Turkish Standards. EGF‐WQI can be used as a reliable and valid index to evaluate the water resources in regions where alteration and mineralization are present.
The impact of COVID‐19 pandemic on access to treatment for children with cancer in India and treating center practices
Authors: Sharma Jyotsna , Mahajan Amita , Bakhshi Sameer , Patil Veerendra , Verma Nishant , Radhakrishnan Venkatraman , Singh Amitabh , Kayal Smita , Seth Rachna , Pushpam Deepam , Arora Ramandeep Singh 
Published: October 2021

BackgroundThe coronavirus disease 2019 (COVID‐19) pandemic led the Indian government to announce a nationwide lockdown on March 23, 2020. This study aimed to explore the impact of the pandemic on the accessibility of care for children with cancer and to view strategies adopted by hospitals for service delivery.MethodsWeekly average of childhood cancer (≤18 years) patient registrations during pre‐lockdown period (January 1 to March 23, 2020) were compared with post‐lockdown period (March 24 to May 31, 2020). The effect on the scheduled treatment was investigated for post‐lockdown period. A survey of health care providers was conducted to determine centers' adopted strategies.ResultsIn 30 participating centers, 1146 patients with childhood cancer (797 pre‐lockdown period and 349 post‐lockdown period) were registered. The weekly average registration was 67.3 and 35.5 patients during pre‐lockdown and post‐lockdown respectively (decline of 47.9%). Although most centers experienced this decline, there were 4 that saw an increase in patient registrations. The distribution of patients registered post‐lockdown was found significantly different by age (lesser older age,P= .010) and distance (lesser travel distance,P= .001). 36.1% of patients, who were scheduled for any of the treatment modalities (chemotherapy, surgery, radiotherapy, and hematopoietic stem cell transplantation) during the post‐lockdown period, experienced delays. Centers adopted several strategies including modifications to treatment protocols, increased use of growth factors, and increased support from social organizations.ConclusionsThis multicenter study from India suggests that the COVID‐19 pandemic and the lockdown impacted 2 out of 3 children with cancer. The effect of this on survival is yet to be established.
Risk of malignancy associated with diagnostic categories of the proposed World Health Organization International System for Reporting Pancreaticobiliary Cytopathology
Authors: Hoda Raza S. , Arpin Ronald N. , Rosenbaum Matthew W. , Pitman Martha B. 
Published: October 2021

BackgroundThe World Health Organization (WHO) has proposed an updated international classification system for reporting pancreaticobiliary cytology. Substantial changes to the prior Papanicolaou Society of Cytopathology (PSC) system have been recommended. Chiefly, the “neoplastic: benign” and “neoplastic: other” categories have been replaced by 2 new categories—“pancreatic neoplasia‐low‐grade” (PaN‐Low) and “pancreatic neoplasia‐high‐grade” (PaN‐High)—stratifying neoplastic mucinous cysts by cytological atypia. Low‐grade malignancies are placed in the “malignant” category and benign serous cystadenoma in the “benign/negative” category. Risk of malignancy (ROM) associated with the diagnostic categories of the WHO system has yet to be defined.MethodsAll patients who underwent endoscopic ultrasound‐guided fine‐needle aspiration (EUS‐FNA) for a pancreatic lesion at a single institution from January 2016 to December 2016, prospectively classified using the PSC system, were reclassified using the WHO system. Absolute ROM was determined by histologic outcome and/or clinical follow‐up of at least 6 months.ResultsA total of 334 EUS‐FNA samples from 322 patients were reviewed and reclassified. Absolute ROM for the WHO system was 7.7% for “insufficient/inadequate/nondiagnostic” category, 1.0% for “benign/negative for malignancy,” 28.0% for “atypical,” 4.8% for “PaN‐Low,” 60.0% for “PaN‐High,” 100% for “suspicious for malignancy,” and 100% for “malignant;” the absolute ROM for the same cohort using the PSC system was 7.7% for “nondiagnostic” category, 1.0% for “negative (for malignancy),” 28.0% for “atypical,” 0.0% for “neoplastic: benign,” 30.3% for “neoplastic: other,” 100% for “suspicious (for malignancy),” and 100% for “positive or malignant.”ConclusionsThe WHO international system achieves improved stratification by associated ROM compared to the PSC system.
Density Functional Theory Study of Reaction Equilibria in Signal Amplification by Reversible Exchange
Authors: Lin Kailai , TomHon Patrick , Lehmkuhl Sören , Laasner Raul , Theis Thomas , Blum Volker 
Published: October 2021

AbstractThe front cover artwork is provided by the groups of Prof. Thomas Theis (North Carolina State University) Prof. Volker Blum (Duke University). The image shows the reaction network of Signal Amplification by Reversible Exchange (SABRE), elucidated by density functional theory (DFT). Read the full text of the Review at 10.1002/cphc.202100204.
Identifying Potential Therapeutic Applications and Diagnostic Harms of Increased Bilirubin Concentrations: A Clinical and Genetic Approach
Authors: Zanussi Jacy T. , Zhao Juan , Dorn Chad A. , Liu Ge , Feng QiPing , Wei WeiQi , Mosley Jonathan D. , Stein C. Michael , Kawai Vivian K. 
Published: October 2021

Bilirubin has antioxidant and anti‐inflammatory properties in vitro and in animal studies and protects against inflammatory, cardiovascular, and other diseases in observational studies; therefore, bilirubin has potential as a therapeutic agent. However, observational studies could be confounded by many factors. We used a genetic (n = 61,281) and clinical (n = 234,670) approach to define the association between bilirubin and 19 conditions with a putative protective signal in observational studies. We also tested if individuals with genetically higher bilirubin levels underwent more diagnostic tests. We used a common variant in UGT1A1 (rs6742078) associated with an 26% increase in bilirubin levels in the genetic studies. Carriers of the variant had higher bilirubin levels (P = 2.2 × 10−16) but there was no significant association with any of the 19 conditions. In a phenome‐wide association study (pheWAS) to seek undiscovered genetic associations, the only significant finding was increased risk of “jaundice‐not of newborn.” Carriers of the variant allele were more likely to undergo an abdominal ultrasound (odds ratio = 1.04, [1.00–1.08], P = 0.03). In contrast, clinically measured bilirubin levels were significantly associated with 15 of the 19 conditions (P < 0.003) and with 431 clinical diagnoses in the pheWAS (P < 1 × 10−5 adjusted for sex, age, and follow‐up). With additional adjustment for smoking and body mass index, 7 of 19 conditions and 260 pheWAS diagnoses remained significantly associated with bilirubin levels. In conclusion, bilirubin does not protect against inflammatory or other diseases using a genetic approach; the many putative beneficial associations reported clinically are likely due to confounding.
Facet Coupling Design for Bi4TaO8Cl/g‐C3N4 via Electrostatic Self‐Assembly to Enhance Photocatalytic Activity
Authors: Liu Chengyin , Zhang Yihe , Li Xiaoqiang , Wang Wei , Huang Hongwei , Gao Changfei , Xu Shanshan , Hu Wenwen , Zhang Yuda 
Published: October 2021

AbstractFinely heterojunction and coupling facets design are essential to enhance photocatalytic activity. Herein, 2D/2D g‐C3N4−Bi4TaO8Cl catalysts were generated by ball‐milling‐assisted electrostatic self‐assembly strategy. The surface charge of Bi4TaO8Cl‐(001) facet can be fine altered from negative to positive by acidic solution treatment, resulting in that Bi4TaO8Cl nanoplates are parallelly coupled with g‐C3N4‐(002) plane to form top‐top coupling facets. The facets coupling optimization, strong interfacial electric field and contact, and rapid charge transfer endow (002)g‐C3N4/(001) Bi4TaO8Cl catalysts with greatly enhanced photocatalytic activity of CO production and MO degradation relative to individual g‐C3N4, Bi4TaO8Cl and lateral‐top g‐C3N4−Bi4TaO8Cl catalyst. This present study provides inspiration to further design high‐performance heterojunction catalysts by adjusting surface charge with simple method.
Using ConSurf to Detect Functionally Important Regions in RNA
Authors: Rubin Maya , Ben‐Tal Nir 
Published: October 2021

AbstractThe ConSurf web server (https://consurf.tau.ac.il/) for using evolutionary data to detect functional regions is useful for analyzing proteins. The analysis is based on the premise that functional regions, which may for example facilitate ligand binding and catalysis, often evolve slowly. The analysis requires finding enough effective, i.e., non‐redundant, sufficiently remote homologs. Indeed, the ConSurf pipeline, which is based on state‐of‐the‐art protein sequence databases and analysis tools, is highly valuable for protein analysis. ConSurf also allows evolutionary analysis of RNA, but the analysis often fails due to insufficient data, particularly the inability of the current pipeline to detect enough effective RNA homologs. This is because the RNA search tools and databases offered are not as good as those used for protein analysis. Fortunately, ConSurf also allows importing external collections of homologs in the form of a multiple sequence alignment (MSA). Leveraging this, here we describe various protocols for constructing MSAs for successful ConSurf analysis of RNA queries. We report the level of success of these protocols on an exemplary set comprising a dozen RNA molecules of diverse structure and function. © 2021 The Authors. Current Protocols published by Wiley Periodicals LLC.Basic Protocol 1: Standard ConSurf evolutionary conservation analysis of an RNA query.Basic Protocol 2: ConSurf evolutionary conservation analysis of an RNA query with external MSA.Support Protocol 1: Construction of an MSA for an RNA query using other online servers.Support Protocol 2: Construction of an MSA for an RNA query using nHMMER locally
AlGaN/GaN Heterostructures Electrical Performance by Altering GaN/Sapphire Buffers Growth Pressure and Low‐Temperature GaN Interlayers Application
Authors: Wośko Mateusz , Paszkiewicz Bogdan , Paszkiewicz Regina 
Published: October 2021

AbstractIn this work, the possibility of improving 2D electron gas mobility and sheet carrier concentration in AlGaN/AlN/GaN heterostructures by altering GaN/sapphire buffer growth pressure and application of low‐temperature GaN interlayers in GaN buffer is investigated. Obtained results show some improvements in 2DEG resistivity reduction after the introduction of two GaN buffer sublayers grown at different pressures. It is observed that the MOVPE process pressure influences the size of GaN buffer block size visible on the scanning electron microscope images of the AlGaN/AlN/GaN surface. These data are complemented by the results of high‐resolution X‐ray diffraction, photoluminescence, and impedance spectroscopy of the investigated heterostructures.
Designed to Be Green, Economic, and Efficient: A Ketone‐Ester‐Alcohol‐Alkane Blend for Future Spark‐Ignition Engines
Authors: Ackermann Philipp , Braun Karsten E. , Burkardt Patrick , Heger Sebastian , König Andrea , Morsch Philipp , Lehrheuer Bastian , Surger Maximilian , Völker Simon , Blank Lars Mathias , Du Miaomiao , Heufer Karl Alexander , Roß‐Nickoll Martina , Viell Jörn , von der Aßen Niklas , Mitsos Alexander , Pischinger Stefan , Dahmen Manuel 
Published: October 2021

AbstractModel‐based fuel design can tailor fuels to advanced engine concepts while minimizing environmental impact and production costs. A rationally designed ketone‐ester‐alcohol‐alkane (KEAA) blend for high efficiency spark‐ignition engines was assessed in a multi‐disciplinary manner, from production cost to ignition characteristics, engine performance, ecotoxicity, microbial storage stability, and carbon footprint. The comparison included RON 95 E10, ethanol, and two previously designed fuels. KEAA showed high indicated efficiencies in a single‐cylinder research engine. Ignition delay time measurements confirmed KEAA's high auto‐ignition resistance. KEAA exhibits a moderate toxicity and is not prone to microbial infestation. A well‐to‐wheel analysis showed the potential to lower the carbon footprint by 95 percent compared to RON 95 E10. The findings motivate further investigations on KEAA and demonstrate advancements in model‐based fuel design.