bluuebunny/crossref_metadata_2025_split huggingface dataset:
Stereoselective Preparation of C‐Aryl Glycosides via Visible‐Light‐Induced Nickel‐Catalyzed Reductive Cross‐Coupling of Glycosyl Chlorides and Aryl Bromides
Authors: Mou Ze‐Dong , Wang Jia‐Xi , Zhang Xia , Niu Dawen 
Published: May 2021

AbstractA nickel‐catalyzed cross‐coupling reaction of glycosyl chlorides with aryl bromides has been developed. The reaction proceeds smoothly under visible‐light irradiation and features the use of bench‐stable glycosyl chlorides, allowing the highly stereoselective synthesis of C‐aryl glycosides.magnified image
Chemical Characterization of a Volatile Dubnium Compound, DbOCl3
Authors: Chiera Nadine M. , Sato Tetsuya K. , Eichler Robert , Tomitsuka Tomohiro , Asai Masato , Adachi Sadia , Dressler Rugard , Hirose Kentaro , Inoue Hiroki , Ito Yuta , Kashihara Ayuna , Makii Hiroyuki , Nishio Katsuhisa , Sakama Minoru , Shirai Kaori , Suzuki Hayato , Tokoi Katsuyuki , Tsukada Kazuaki , Watanabe Eisuke , Nagame Yuichiro 
Published: May 2021

AbstractThe formation and the chemical characterization of single atoms of dubnium (Db, element 105), in the form of its volatile oxychloride, was investigated using the on‐line gas phase chromatography technique, in the temperature range 350–600 °C. Under the exactly same chemical conditions, comparative studies with the lighter homologues of Group 5 in the Periodic Table clearly indicate the volatility sequence being NbOCl3 > TaOCl3 ≥ DbOCl3. From the obtained experimental results, thermochemical data for DbOCl3 were derived. The present study delivers reliable experimental information for theoretical calculations on chemical properties of transactinides.
High‐Spin Imido Cobalt Complexes with Imidyl Radical Character**
Authors: Reckziegel Alexander , Kour Manjinder , Battistella Beatrice , Mebs Stefan , Beuthert Katrin , Berger Robert , Werncke C. Gunnar 
Published: May 2021

AbstractWe report on the synthesis of a variety of trigonal imido cobalt complexes [Co(NAryl)L2]−, (L=N(Dipp)SiMe3), Dipp=2,6‐diisopropylphenyl) with very long Co−NAryl bonds of around 1.75 Å. Their electronic structure was interrogated using a variety of physical and spectroscopic methods such as EPR or X‐Ray absorption spectroscopy which leads to their description as highly unusual imidyl cobalt complexes. Computational analyses corroborate these findings and further reveal that the high‐spin state is responsible for the imidyl character. Exchange of the Dipp substituent on the imide by the smaller mesityl function (2,4,6‐trimethylphenyl) effectuates the unexpected Me3Si shift from the ancillary ligand set to the imidyl nitrogen, revealing a highly reactive, nucleophilic character of the imidyl unit.
A Mortise‐and‐Tenon Joint Inspired Mechanically Interlocked Network
Authors: Zhao Dong , Zhang Zhaoming , Zhao Jun , Liu Kai , Liu Yuhang , Li Guangfeng , Zhang Xinhai , Bai Ruixue , Yang Xue , Yan Xuzhou 
Published: May 2021

AbstractMortise‐and‐tenon joints have been widely used for thousands of years in wooden architectures in virtue of their artistic and functional performance. However, imitation of similar structural and mechanical design philosophy to construct mechanically adaptive materials at the molecular level is a challenge. Herein, we report a mortise‐and‐tenon joint inspired mechanically interlocked network (MIN), in which the [2]rotaxane crosslink not only mimics the joint in structure, but also reproduces its function in modifying mechanical properties of the MIN. Benefiting from the hierarchical energy dissipative ability along with the controllable intramolecular movement of the mechanically interlocked crosslink, the resultant MIN simultaneously exhibits notable mechanical adaptivity and structural stability in a single system, as manifested by decent stiffness, strength, toughness, and deformation recovery capacity.
Enantioselective Total Synthesis and Structural Revision of Dysiherbol A
Authors: Baars Julian , Grimm Isabelle , Blunk Dirk , Neudörfl Jörg‐Martin , Schmalz Hans‐Günther 
Published: May 2021

AbstractA 12‐step total synthesis of the natural product dysiherbol A, a strongly anti‐inflammatory and anti‐tumor avarane meroterpene isolated from the marine sponge Dysidea sp., was elaborated. As key steps, the synthesis features an enantioselective Cu‐catalyzed 1,4‐addition/enolate‐trapping opening move, an Au‐catalyzed double cyclization to build up the tetracyclic core‐carbon skeleton, and a late installation of the C5‐bridgehead methyl group via proton‐induced cyclopropane opening associated with spontaneous cyclic ether formation. The obtained pentacyclic compound (corresponding to an anhydride of the originally suggested structure for dysiherbol A) showed identical spectroscopic data as the natural product, but an opposite molecular rotation. CD‐spectroscopic measurements finally confirmed that both the constitution and the absolute configuration of the originally proposed structure of (+)‐dysiherbol A need to be revised.
Molecular properties prediction, synthesis, and antimicrobial activity of bis(azolyl)sulfonamidoacetamides
Authors: P Siva sankar , K Narendra babu , Rekha Tamatam , Padmaja Adivireddy , Padmavathi Venkatapuram 
Published: May 2021

AbstractA library of bis(azolyl)sulfonamidoacetamides was prepared by the reaction of azolylsulfonylamines with azolylchloroacetamides in the presence of pyridine/4‐(dimethylamino)pyridine (DMAP) under ultrasonication. The reaction proceeded well with DMAP, resulting in a higher yield of the products. The antimicrobial activity of the compounds indicated that N‐{5‐[N‐(2‐{[4‐(4‐chloro‐1H‐pyrrol‐2‐yl)‐1H‐imidazol‐2‐yl)amino}‐2‐oxoethyl)sulfamoyl]‐4‐phenylthiazol‐2‐yl}benzamide (22a), N‐{5‐[N‐(2‐{[4‐(4‐chloro‐1H‐pyrrol‐2‐yl)‐1H‐imidazol‐2‐yl]amino}‐2‐oxoethyl)sulfamoyl]‐4‐(4‐chlorophenyl)thiazol‐2‐yl}benzamide (22c), and N‐{5‐[N‐(2‐{[4‐(4‐chloro‐1H‐pyrrol‐2‐yl)‐1H‐imidazol‐2‐yl]amino}‐2‐oxoethyl)sulfamoyl]‐4‐(4‐chloro‐phenyl)‐1H‐imidazol‐2‐yl}benzamide (24c) exhibited a low minimal inhibitory concentration (MIC) against Bacillus subtilis, equal to the standard drug, chloramphenicol. Compounds 22c and 24c also showed low MICs against Aspergillus niger, equal to the standard drug, ketoconazole. The molecular properties of the synthesized molecules were studied to identify druglikeness properties of the target compounds. On the basis of molecular properties prediction, 19a, 19b, 20b, 20c, 21a–c, 22b, 22c, and 23a–c can be treated as drug candidates.
Surface Modulation of Iron‐doped MoS2 Nanosheets by Phytic Acid for Enhanced Water Oxidation
Authors: Zhao Min , Song Yanhui , Wang Jingkun , Wei Bingwei , Wang Chengqiang , Sha Wenbo , Cao Hailiang , Liu Peizhi , Du Xiaoqiang , Guo Junjie 
Published: May 2021

AbstractSurface modulation and heteroatom doping are important approaches for boosting the electrocatalytic performances of MoS2 nanosheets. As a molecular electrocatalyst, the natural organic phytic acid (PA) offer attractive intermediate for oxygen evolution reaction (OER). Here, a surface modulation strategy is demonstrated through the decoration of PA onto the basal plane of iron (Fe)‐doped MoS2 nanosheets supported on nickel foam (NF) for boosted OER activity. Experimental results indicate that the PA modification and Fe doping could effectively boost the charge transfer and mass transport during the OER process. Specially, PA2‐Fe−MoS2 grown on NF (PA2‐Fe−MoS2/NF) exhibits excellent OER activity (218 mV@20 mA cm−2) and durability, even superior to RuO2 and many other previously reported OER catalysts. This natural organic molecule modification provides a facile strategy to designing low‐cost and efficient electrocatalytic materials.
Effect of Topology on Photodynamic Sterilization of Porphyrinic Metal‐Organic Frameworks
Authors: Liu Yao‐Yao , Chen Li‐Jian , Zhao Xu , Yan Xiu‐Ping 
Published: May 2021

AbstractPorphyrinic metal‐organic frameworks (MOFs) are promising photosensitizers due to the lack of self‐aggregation of porphyrin in aqueous solution. However, how the topology of porphyrinic MOFs affects the generation of singlet oxygen (1O2) is unclear. Here, the effect of the topology of porphyrinic MOFs on their photodynamic performance is reported. Four porphyrinic zirconium MOFs (MOF‐525, MOF‐545, PCN‐223 and PCN‐224 with different topologies: ftw, csq, shp and she, respectively) were selected to study the influence of topology on the photodynamic antibacterial performance. The 1O2 generation and the photodynamic antibacterial performance followed an decreasing order of MOF‐545>MOF‐525>PCN‐224>PCN‐223. The results reveal that the pore size, the distance between porphyrin, and the number of porphyrin per Zr6O8 cluster in MOFs greatly affected 1O2 generation. This work provides guidance for designing new MOFs for efficient photodynamic sterilization.
Enantiopure Polyradical Tetrahedral Pd12L6 Cages
Authors: Rajasekar Prabhakaran , Swain Abinash , Rajaraman Gopalan , Boomishankar Ramamoorthy 
Published: May 2021

AbstractThe synthesis of cages with a polyradical framework remains a challenging task. Herein is reported an enantiomeric pair of quinoid‐bridged polyradical tetrahedral palladium(II) cages that are stabilized by an unusual dianionic diradical form (dhbq..2−). These cages have been characterized by electron paramagnetic resonance and UV‐visible spectroscopy, squid magnetometry and mass spectrometry. Single‐crystal‐derived X‐ray investigations of the iso‐structural cages built on fluoranilate linkers confirm the tetrahedral structure of the obtained radical cages. Theoretical calculations showed that the diradical state of the dhbq anions is more stable than the usual monoradical state. A weak ferromagnetic exchange between adjacent radical centers was observed in DFT studies.
Radicals and Anions of Siloles and Germoles
Authors: Reinhold Crispin R. W. , Schmidtmann Marc , Tumanskii Boris , Müller Thomas 
Published: May 2021

AbstractThe synthesis of persistent sila‐ and germacyclopentadienyl (silolyl‐ and germolyl‐) radicals by careful stoichiometric reduction of the corresponding halides with potassium is reported. The radicals were characterized by EPR spectroscopy and trapping reactions. The reduction of tris(trimethylsilyl)silyl‐substituted halides was successful while smaller substituents (i. e., t‐Butyl, Ph) gave the corresponding dimers. The EPR spectroscopic parameter of the synthesized tetrolyl radicals indicate only small spin delocalization to the butadiene unit due to cross‐hyperconjugation. Silolyl‐ and germolyl anions are unavoidable byproducts and are isolated in the form of their potassium salts and characterized by X‐ray crystallography. The comparison of the molecular structures of two closely related potassium silolides provided an example for different coordination of the potassium cation to the silolyl anion (η1 vs. η5 coordination) that triggers the switch between delocalized and localized states.
Externally Regulated Specific Molecular Recognition Driven Pathway Selectivity in Supramolecular Polymerization
Authors: Chakraborty Anwesha , Manna Rabindra Nath , Paul Ankan , Ghosh Suhrit 
Published: May 2021

AbstractThis article reveals 4‐dimethylaminopyridine (DMAP) regulated pathway selectivity in the supramolecular polymerization of a naphthalene‐diimide derivative (NDI‐1), appended with a carboxylic acid group. In decane, NDI‐1 produces ill‐defined aggregate (Agg‐1) due to different H‐bonding motifs of the −COOH group. With one mole equivalent DMAP, the NDI‐1/DMAP complex introduces new nucleation condition and exhibits a cooperative supramolecular polymerization producing J‐aggregated fibrillar nanostructure (Agg‐2). With 10 % DMAP and fast cooling (10 K/min), similar nucleation and open chain H‐bonding with the free monomer in an anti‐parallel arrangement produces identical J‐aggregate (Agg‐2a). With 2.5 % DMAP and slow cooling (1 K/min), a distinct nucleation and supramolecular polymerization pathway emerge leading to the thermodynamically controlled Agg‐3 with face‐to‐face stacking and 2D‐morphology. Slow cooling with 5–10 % DMAP produces a mixture of Agg‐2a and Agg‐3. Computational modelling studies provide valuable insights into the internal order and the pathway complexity.
How corporate social responsibility can incentivize top managers: A commitment to sustainability as an agency intervention
Authors: Greiner Michael , Sun Jing 
Published: May 2021

AbstractOver the past few years, scholarly interest in corporate social responsibility (CSR) has been increasing. However, research on the relationship between CSR and firm performance has revealed a complicated relationship. In this paper, we argue that part of the basis for the generally positive relationship between CSR and firm performance might come from a reduction in agency costs. Relying on behavioral agency theory, we construct a model in which CSR moderates the impact of the agency problem on specific firm outcomes, including firm performance, the use of stock options, and goodwill. Based on panel data of publicly traded U.S. firms from 1999 to 2013, we find support for that model. These findings suggest the role of CSR in improving corporate governance efficiency through mitigating agency problems inside the firm.
Catalysis in Supramolecular Systems: the Case of Gel Phases
Authors: Rizzo Carla , Marullo Salvatore , Billeci Floriana , D'Anna Francesca 
Published: May 2021

AbstractSupramolecular gels are a fascinating class of materials, originated by the self‐assembly of low molecular weight molecules. Underpinned by non‐covalent interactions, they find application in a diverse range of fields. Among these, supramolecular gels can be considered as organized, non‐conventional reaction media, able to influence reactivity in a radically different way, compared with what happens in solution. This short review will focus on this aspect, covering literature from 2010 onwards, addressing the application of supramolecular gels as reaction media. In particular, in the first section we explore organocatalytic reactions in gel phase, with wide synthetic relevance, such as aldol and Mannich reactions as well as Friedel Crafts or ester hydrolysis processes. Subsequently, focus is laid on metal‐catalysed reactions, among which relevance is given to widely used reactions like cross‐coupling and click reactions. Then, the final sections describe the use of supramolecular gels as reaction media for photo‐ and biocatalysed processes.
Genome‐wide identification of age‐related CpG sites for age estimation from blood DNA of Han Chinese individuals
Authors: Xiao Chao , Yi Shaohua , Huang Daixin 
Published: May 2021

AbstractAge‐related CpG (AR‐CpG) sites are currently the most promising molecular markers for forensic age estimation. However, the AR‐CpG sites of Han Chinese population remains to be systematically characterized. In this study, we performed genome‐wide methylation analyses on 42 whole blood DNA from healthy Han Chinese volunteers (aged from 18 to 62 years) using the Illumina MethylationEPIC BeadChip microarray. As expected, both known and novel AR‐CpG sites were identified. Considering the sex difference in aging rate, we then separately selected AR‐CpG candidates and built pyrosequencing‐based multiple linear regression models for age estimation of males and females. The model constructed from the male sample group (n = 167, aged from 1.50 to 85.71 years) explained 95.22% of variation in age using five AR‐CpG sites (chr6:11044864 ELOVL2, chr1:207997068 C1orf132, cg19283806 CCDC102B, cg17740900, and chr10:73740306 CHST3) and yielded a mean absolute error (MAE) of 2.79 years. The model constructed from the female sample group (n = 141, aged from 3.33 to 80.38 years) explained 94.90% of variation in age with six AR‐CpG sites (chr6:11044867 ELOVL2, chr1:207997060 C1orf132, chr2:106015757 FHL2, cg26947034, chr16: 67184108 B3GNT9, and chr20:44658203 SLC12A5) and yielded an MAE of 2.53 years. Besides, the estimated age was highly correlated with the actual age (R > 0.97). The robustness of these AR‐CpG markers was demonstrated by 10‐fold cross‐validations. In conclusion, we updated the AR‐CpG sites of Han Chinese population and provided two sets of AR‐CpG sites for accurate age estimation.
The hypoglycemic effect of freeze‐dried fermented mulberry mixed with soybean on type 2 diabetes mellitus
Authors: Long Xiao‐Shan , Liao Sen‐Tai , Li Er‐Na , Pang Dao‐Rui , Li Qian , Liu Shu‐Cheng , Hu Teng‐Gen , Zou Yu‐Xiao 
Published: May 2021

AbstractMulberry has significant hypoglycemic effect and can be used as an auxiliary food for people with type 2 diabetes. However, it is rich in carbohydrate and cannot be consumed directly by diabetic patients. In the study, we fermented the mulberry to reduce the content of glucose and fructose, and added the soybean to reduce the loss of probiotics during fermentation and then determined its hypoglycemic effect. We induced type 2 diabetes mellitus (T2DM) mice by streptozotocin and measured its blood glucose, serum biochemistry, hepatic and pancreatic histopathology, and the diversity of the gut microbiota. After 5 weeks of oral DFMS administration, the glucose tolerance was improved significantly in T2DM mice. Furthermore, there were also significant increases in superoxide dismutase activity and glutathione concentration, and marked reductions in the concentrations of malondialdehyde and free fatty acids. Moreover, DFMS also prevented histopathological changes and the increases in the activities of alanine transaminase and aspartate transaminase. DFMS treatment also markedly increased the richness of the gut microbial community. The abundance of Bacteroidetes was increased, and those of Proteobacteria, Escherichia‐Shigella, and Lactobacillus were reduced. In summary, DFMS has a clear hypoglycemic effect in mice with T2DM.
A multiple agency view of venture capital investment duration: The roles of institutions, foreignness, and alliances
Authors: Sethuram Shyamala , Taussig Markus , Gaur Ajai 
Published: May 2021

AbstractResearch SummaryVenture capital firms (VCs) must simultaneously manage a range of relationships with investors, investees, prospective buyers, and co‐investors who frequently exert divergent influences on when investments should be exited. The greater weight of one particular relationship can lead a VC to exit an investment earlier than would maximize returns for that investment. In this study, we utilize a global sample to examine how VC firms' investment duration decisions are shaped by firm‐specific and environmental factors. Our findings suggest that VCs are less patient and exit faster when they have less experience, invest in more institutionally challenged host countries, or are foreign and invested in an emerging economy. Importantly, while co‐investing with other VCs increases patience in advanced economies, this effect disappears in emerging economies.Managerial SummaryAgency theory explains why firms commonly capitalize on information advantages created by conditions of uncertainty to prioritize their own private interests over those shared with partners. This article introduces a framework, based on multiple agency theory, to examine the factors shaping the duration of venture capital firms' investments. Our findings, based on a sample of deals across 33 countries, suggest greater patience when host country market institutions are more advanced and venture capitalists themselves have more experience. In emerging economies only, we find that patience is increased by being local or from a foreign country with similarly challenging institutions. Importantly, while co‐investing with other venture capitalists increases patience in advanced economies, this effect disappears in emerging economies.
Liquid biopsy in lymphoma: Is it primed for clinical translation?
Authors: Poynton Edward , Okosun Jessica 
Published: May 2021

AbstractThe simultaneous growth in our understanding of lymphoma biology and the burgeoning therapeutic options has come with a renewed drive for precision‐based approaches and how best to incorporate them into contemporary and future patient care. In the hunt for accurate and sensitive biomarkers, liquid biopsies, particularly circulating tumour DNA, have come to the forefront as a promising tool in multiple cancer types including lymphomas, with considerable implications for clinical practice. Liquid biopsy analyses could supplement existing tissue biopsies with distinct advantages including the minimally invasive nature and the ease with which it can be repeated during a patient's clinical journey. Circulating tumour DNA (ctDNA) analyses has been and continues to be evaluated across lymphoma subtypes with potential applications as a diagnostic, disease monitoring and treatment selection tool. To make the leap into the clinic, these assays must demonstrate accuracy, reliability and a quick turnaround to be employed in the real‐time clinical management of lymphoma patients. Here, we review the available ctDNA assays and discuss key practical and technical issues around improving sensitivity. We then focus on their potential roles in several lymphoma subtypes exemplified by recent studies and provide a glimpse of different features that can be analysed beyond ctDNA.
Actual postoperative protein and calorie intake in patients undergoing major open abdominal cancer surgery: A prospective, observational cohort study
Authors: Constansia Reickly D. N. , Hentzen Judith E. K. R. , Hogenbirk Rianne N. M. , van der Plas Willemijn Y. , Campmans‐Kuijpers Marjo J. E. , Buis Carlijn I. , Kruijff Schelto , Klaase Joost M. 
Published: May 2021

AbstractBackgroundAdequate nutritional protein and energy intake are required for optimal postoperative recovery. There are limited studies reporting the actual postoperative protein and energy intake within the first week after major abdominal cancer surgery. The main objective of this study was to quantify the protein and energy intake after major abdominal cancer surgery.MethodsWe conducted a prospective cohort study. Nutrition intake was assessed with a nutrition diary. The amount of protein and energy consumed through oral, enteral, and parenteral nutrition was recorded and calculated separately. Based on the recommendations of the European Society for Clinical Nutrition and Metabolism (ESPEN), protein and energy intake were considered insufficient when patients received <1.5 g/kg protein and 25 kcal/kg for 2 or more days during the first postoperative week.ResultsFifty patients were enrolled in this study. Mean daily protein and energy intake was 0.61 ± 0.44 g/kg/day and 9.58 ± 3.33 kcal/kg/day within the first postoperative week, respectively. Protein and energy intake were insufficient in 45 [90%] and 41 [82%] of the 50 patients, respectively. Patients with Clavien‐Dindo grade ≥III complications consumed less daily protein compared with the group of patients without complications and patients with grade I or II complications.ConclusionDuring the first week after major abdominal cancer surgery, the majority of patients do not consume an adequate amount of protein and energy. Incorporating a registered dietitian into postoperative care and adequate nutrition support after major abdominal cancer surgery should be a standard therapeutic goal to improve nutrition intake.