bluuebunny/crossref_metadata_2025_split huggingface dataset:
Reconstruction of maxillary palatal defects after partial maxillectomy using a pedicled buccal fat pad and a nasolabial flap
Authors: Nishikubo Shuichi , Matsuda Hiroyuki , Watanabe Shinya , Tamura Hidetoshi , Tonogi Morio 
Published: July 2021

AbstractThe novelty of this procedure is the reconstruction of a maxillary palatal defect with two pedicled flaps: a pedicled buccal fat pad and a nasolabial flap. This use of combination flaps makes the surgery simple, short, and useful for a wide defect.The novelty of this procedure is the reconstruction of a maxillary palatal defect with two pedicled flaps: a pedicled buccal fat pad and a nasolabial flap. This use of combination flaps makes the surgery simple, short, and useful for a wide defect.
Ultrasound‐guided central venous catheterization via internal jugular vein in a patient with subcutaneous neck emphysema: A case report
Authors: Bae Sung Il , Cho Soo Buem , Lee Soo Hee , Park Kyeong‐Eon , Hwang Yeran , Kim Sunmin , Sohn Ju‐Tae 
Published: July 2021

AbstractIn patients with subcutaneous neck emphysema, ultrasound images of the internal jugular vein are unclear due to air bubbles. Central venous catheterization can be safely achieved by pushing the accumulated air laterally using an ultrasound probe.
Atrial septal defect and patent ductus arteriosus closure in an 8‐month‐old patient with Silver‐Russell syndrome
Authors: Oda Ryoma , Nakanishi Keisuke , Kawasaki Shiori , Amano Atsushi 
Published: July 2021

AbstractWe present a case of an 8‐month‐old boy with Silver‐Russell syndrome who had high pulmonary vascular resistance, atrial septal defect, and patent ductus arteriosus. He underwent cardiac surgery using cardiopulmonary bypass without any complications.
A General Strategy for the Stereoselective Synthesis of Pyrrole‐Fused Chiral Skeletons: [3+2] Cycloaddition with 2‐Nitro‐2,3‐Unsaturated Glycosides
Authors: Jiang Nan , Mei Yuling , Yang Yu , Dong Youxian , Ding Zekun , Zhang Jianbo 
Published: July 2021

AbstractIn this study, a two‐step methodology was developed for the synthesis of chiral pyrroles from 2‐nitroglycals via Ferrier rearrangement and Barton‐Zard reaction under mild conditions without transition metal catalysts. The Ferrier rearrangement reaction of 2‐nitro‐glycals and a series of O‐nucleophiles proceeded smoothly in the presence of N‐heterocyclic carbene (NHC) catalyst and K2CO3 which allowed the highly stereoselective synthesis of the diverse 2‐nitro‐2,3‐unsaturated glycosides in excellent yields. Subsequently, the rearrangement products were conveniently transformed into the desired chiral pyrroles by [3+2] cycloaddition (Barton‐Zard reaction) with isocyanoacetate in the presence of Cs2CO3. One‐pot strategy was also successfully demonstrated for the gram‐scale synthesis of one chiral pyrrole. This is the first report of stereoselective conversion from 2‐nitroglycals to chiral pyrrole.
Decorating BODIPY with Electron‐Withdrawing NO Group: Spectroelectrochemical Consequences and Computational Investigation
Authors: Silva Thaissa L. , Do Nascimento Tamires A. , De Almeida Andresa K. A. , Melo Shaiani M. G. , Da Silva Julio C. S. , Xavier Jadriane A. , Xavier André F. A. , Santos Danyelle C. , Wadhawan Jay , Emery Flavio S. , Goulart Marilia O. F. 
Published: July 2021

Abstract4,4‐difluoro‐5,7‐dimethyl‐4‐bora‐3a,4a‐diaza‐s‐indacene (BODIPY) and derivatives are an outstanding class of fluorescent dyes. Herein, we report on the introduction of a nitrosyl moiety into the BODIPY structure and its dramatic effect on the observed electrochemical reaction mechanism. 6‐Nitrosyl‐8‐phenyl‐BODIPY and its 5‐nitrosyl positional isomer, compounds 2 and 3, respectively, were obtained from the meso precursor, 8‐phenyl‐BODIPY (1), by nitrosation. Electrochemical studies for 1–3 are reported. Cyclic voltammetry and differential pulse voltammetry in degassed DMF or in MeCN (reduction+oxidation), both with n‐Bu4NPF6 (0.1 mol L−1), were obtained. Compound 1 displays the usual behaviour for 8‐phenyl substituted BODIPYs. The addition of the acceptor nitroso group in compounds 2 (in position β) and 3 (in position α), leads to a different profile. For all the compounds, the nitroso group greatly facilitates the reductions. For compound 3 (EpIc=−0.238 V), the first to be reduced is the nitroso group, due to the stability of the electrogenerated radical anion, along with non‐bonding interactions with the electronegative boron difluoride. This is different from compound 2 (EpIc=−0.351 V) with a β‐nitroso group, where the nitroso‐based facilitated reduction occurs in the substituted BODIPY core. Spectroelectrochemistry coupled with analysis through conceptual density functional theory (CDFT) corroborate the voltammetric results and explain the unexpected reactivity differences.
Electrochemical Treatment of Wastewater by ElectroFenton, Photo‐ElectroFenton, Pressurized‐ElectroFenton and Pressurized Photo ElectroFenton: A First Comparison of these Innovative Routes
Authors: Ma Pengfei , Prestigiacomo Claudia , Proietto Federica , Galia Alessandro , Scialdone Onofrio 
Published: July 2021

AbstractIn the last few years increasing attention has been devoted to the utilization of electroFenton (EF) and EF based technologies for the treatment of wastewater polluted by recalcitrant organics. It has been shown that the performances of EF can be strongly improved using ultraviolet (UV) irradiation, e. g., by the photo‐electroFenton (PEF) method, or pressurized air or oxygen, e. g., by the pressurized‐electroFenton (PrEF) one. Although several studies were carried out on the degradation of many organic pollutants using EF, PEF or PrEF, a systematic comparison between PEF and PrEF was never reported as well as the possibility to couple the irradiation with pressurized air. In this study the performances of EF, PEF and PrEF were systematically compared using synthetic solutions of three model organic substrates (e. g., formic acid, oxalic acid and Acid Orange 7). In addition, the pressurized‐photo‐electroFenton (PrPEF) process was proposed for the first time.
Spectroelectrochemical Properties of 1,10‐Phenanthroline Substituted by Phenothiazine and Carbazole Redox‐active Units
Authors: Wantulok Jakub , Sokolova Romana , Degano Ilaria , Kolivoska Viliam , Nycz Jacek E. , Fiedler Jan 
Published: July 2021

AbstractComplexes of 1,10‐phenanthrolines with cations of transition metals have broad range of applications. This work aims at designing and investigating phenothiazine and carbazole substituted 1,10‐phenanthrolines as ligands for future complexes with transient metal cations. The combined electrochemical, spectroelectrochemical and DFT studies were employed to demonstrate the effect of broken symmetry in substituted 4,7‐di(phenothiazine)‐1,10‐phenanthrolines on their spectroelectrochemical properties. A reversible color change (new absorption band around 500 nm) due to phenothiazine radical cation was observed in the first oxidation step. Results further indicate that phenothiazine substituents behave as two equivalent but almost electronically isolated redox centres. The work additionally presents a comprehensive reaction mechanistic study of oxidation and reduction processes complemented by HPLC‐MS/MS identification.
Does dicamba exposure elicit a hormetic response in sensitive soybean?
Authors: Castner Mason C , Norsworthy Jason K , Barber Tom , Gbur Edward , Roberts Trenton 
Published: July 2021

AbstractApplications of dicambaherbicide to dicamba‐resistant (DR) soybean [Glycine max (L.) Merr.] and cotton (Gossypium hirsutum L.) may increase the risks of non‐DR soybean exposure to dicamba. Dicamba residue in sprayers poses a challenge for applicators that also treat non‐DR soybean. Risks for non‐DR soybean producers increase as the planted acreage and usage of DR crops increases, as there is potential for volatilization of the herbicide in the summer months, posing a risk for nearby non‐DR soybean producers. There has been widespread speculation that a low‐dose exposure of dicamba to sensitive soybean may elicit a positive response in yield or yield components of the crop. Therefore, experiments were conducted in 2018 and 2019 to assess the ability of dicamba to cause a hormetic response on a sensitive soybean. Dicamba at 0.000008, 0.0000125, 0.000025, 0.00005, and 0.0001 lb a.i. acre–1 was applied to soybean at the V3 stage along with a nontreated control. Similar treatments were applied to soybean at the R1 stage in a second experiment. In 2018, 4 out of 60 treatment means across six yield parameters had a positive response over the control, although no increase in yield was detected. In 2019, 11 out of 60 treatment means across the same yield parameters displayed a decrease and subsequently reduced soybean grain yield. The degree of auxin symptoms varied between site–years and did not consistently display compensatory effects. Overall, no findings led to the conclusion that exposure of soybean to sublethal doses of dicamba increased grain yield.
Effect of Heterometal‐Functionalization and Template Exchange on the Redox Chemistry of Molecular Vanadium Oxides
Authors: Greiner Simon , Schwarz Benjamin , Streb Carsten , Anjass Montaha 
Published: July 2021

AbstractPolyoxometalates (POMs) have emerged as material of interest in many applications such as energy storage and conversion due to their redox activity and molecularly defined structure. However, especially for polyoxovanadates a lack of understanding between structural modifications and physicochemical properties remains. The present study leverages a lacunary dodecavanadate to systematically investigate the electronic effect of heterometal functionalization. While structural distortion affects the stability of the cluster, the redox potentials correlate with the overall cluster charge. Furthermore, we report the first bromide‐templated analogue of this cluster family. While the halide anion is crucial for the formation of the cluster, no major effect on the electrochemical properties is observed. By improving the understanding of structure‐property relationship in this work, we hope to enable a more predictable tuning of redox‐properties of polyoxovandates.
Asymmetric synthesis of (1R,5S)‐2‐methyl‐6,7‐benzomorphan via Aza‐Prins reaction
Authors: Gálvez José A. , Badorrey Ramón , Mahía Alejandro , Díaz‐de‐Villegas María D. 
Published: July 2021

Abstract(1R,5S)‐2‐Methyl‐6,7‐benzomorphan has been synthesised from (R)‐(benzyloxy)(phenyl)acetaldehyde. On a 2‐mmol scale Bi (OTf)3 promoted Aza‐Prins reaction with N‐tosylhomoallylamine afforded an 88/12 mixture of 6‐oxa‐2‐azabicyclo[3.2.1]octanes. Major diastereoisomer was converted to enantiomerically pure (2S,4S)‐2‐benzyl‐1‐ methylpiperidin‐4‐ol via a high‐yielding sequence hydrogenolysis/N‐detosylation/N‐methylation. Acid‐catalysed intramolecular Friedel−Crafts cyclisation of the piperidinol afforded (1R,5S)‐2‐methyl‐6,7‐benzomorphan in five steps with a yield of 25%.
Structure‐Activity Relationship Explorations and Discovery of a Potent Antagonist for the Free Fatty Acid Receptor 2
Authors: Højgaard Hansen Anders , Christensen Henriette B. , Pandey Sunil K. , Sergeev Eugenia , Valentini Alice , Dunlop Julia , Dedeo Domonkos , Fratta Simone , Hudson Brian D. , Milligan Graeme , Ulven Trond , Rexen Ulven Elisabeth 
Published: July 2021

AbstractFree fatty acid receptor 2 (FFA2) is a sensor for short‐chain fatty acids that has been identified as an interesting potential drug target for treatment of metabolic and inflammatory diseases. Although several ligand series are known for the receptor, there is still a need for improved compounds. One of the most potent and frequently used antagonists is the amide‐substituted phenylbutanoic acid known as CATPB (1). We here report the structure‐activity relationship exploration of this compound, leading to the identification of homologues with increased potency. The preferred compound 37 (TUG‐1958) was found, besides improved potency, to have high solubility and favorable pharmacokinetic properties.
Quantifying the Long‐Range Coupling of Electronic Properties in Proteins with ab initio Molecular Dynamics**
Authors: Yang Zhongyue , Hajlasz Natalia , Steeves Adam H. , Kulik Heather J. 
Published: July 2021

AbstractThe delicate interplay of covalent and non‐covalent interactions in proteins is inherently quantum mechanical and highly dynamic in nature. To directly interrogate the evolving nature of the electronic structure of proteins, we carry out 100‐ps‐scale ab initio molecular dynamics simulations of three representative small proteins with range‐separated hybrid density functional theory. We quantify the nature and length‐scale of the coupling of residue‐specific charge probability distributions in these proteins. While some nonpolar residues exhibit expectedly narrow charge distributions, most polar and charged residues exhibit broad, multimodal distributions. Even for nonpolar residues, we observe sequence‐specific deviations corresponding to charge accumulation or depletion that would be challenging to capture in a fixed charge force field. We quantify the effect of residue‐residue interactions on charge distributions first with linear cross‐correlations. We then show how additional insight can be gained from evaluating the mutual information of charge distributions. We show that a significant number of residues couple most strongly with residues that are distant in both sequence and space over a range of secondary structures including α‐helical, β‐sheet, disulfide bridging, and lasso motifs. The mutual information analysis is necessary to capture coupling between some polar and charged residues that would be otherwise missed.
Evolving biological associations of upfront cytoreductive nephrectomy in metastatic renal cell carcinoma
Authors: Silagy Andrew W. , Kotecha Ritesh R. , Weng Stanley , Holmes Arturo , Singla Nirmish , Mano Roy , Attalla Kyrollis , Weiss Kate L. , DiNatale Renzo G. , Patil Sujata , Coleman Jonathan A. , Motzer Robert J. , Russo Paul , Voss Martin H. , Hakimi A. Ari 
Published: July 2021

BackgroundSystemic responses to cytoreductive nephrectomy (CN) in the management of metastatic renal cell carcinoma (mRCC) are variable and difficult to anticipate. The authors aimed to determine the association of CN with modifiable International Metastatic Renal Cell Carcinoma Database Consortium (IMDC) risk factors and oncological outcomes.MethodsConsecutive patients with mRCC referred for potential CN (2009‐2019) were reviewed. The primary outcome was overall survival (OS); variables of interest included undergoing CN and the baseline number of modifiable IMDC risk factors (anemia, hypercalcemia, neutrophilia, thrombocytosis, and reduced performance status). For operative cases, the authors evaluated the effects of IMDC risk factor dynamics, measured 6 weeks and 6 months after CN, on OS and postoperative treatment disposition.ResultsOf 245 treatment‐naive patients with mRCC referred for CN, 177 (72%) proceeded to surgery. The CN cases had fewer modifiable IMDC risk factors (P = .003), including none in 71 of 177 patients (40.1%); fewer metastases (P = .011); and higher proportions of clear cell histology (P = .012). In a multivariable analysis, surgical selection, number of IMDC risk factors, metastatic focality, and histology were associated with OS. Total risk factors changed for 53.8% and 57.2% of the patients from the preoperative period to 6 weeks and 6 months after CN, respectively. Adjusted for preoperative IMDC risk scores, an increase in IMDC risk factors at 6 weeks and 6 months was associated with adverse OS (hazard ratio [HR], 1.57; 95% confidence interval [CI], 1.13‐2.19; P = .007; HR, 2.52; 95% CI, 1.74‐3.65; P < .001).ConclusionsIMDC risk factors are dynamic clinical variables that can improve after upfront CN in select patients, and this suggests a systemic benefit of cytoreduction, which may confer clinically meaningful prognostic implications.
Association of Parenteral Anticoagulation Therapy With Outcomes in Non–ST‐Segment Elevation Acute Coronary Syndrome Patients Without Invasive Therapy: Findings from the Improving Care for Cardiovascular Disease in China (CCC) project
Authors: Liu Yuan‐Hui , Fan Hua‐Lin , Zeng Li‐Huan , Duan Chong‐Yang , Chen Guo , Chen Peng‐Yuan , Zhao Dong , Liu Jing , Hao Yong‐Chen , He Wen‐Fei , Tao Sha , Wei Xue‐Biao , Jiang Lei , Guo Wei , Guo Yan‐Song , Chen Wei , Li Jun , Hu Yun‐Zhao , Li Wen‐Sheng , Chen Yi‐Yue , Luo Jian‐Fang , Zhou Ying‐Ling , Yu Dan‐Qing , Han Ya‐Ling , Tan Ning , Chen Ji‐Yan , He Peng‐Cheng 
Published: July 2021

Our previous study showed that parenteral anticoagulation therapy (PACT) in the context of aggressive antiplatelet therapy failed to improve clinical outcomes in patients undergoing percutaneous coronary intervention for non–ST‐segment elevation acute coronary syndrome (NSTE‐ACS). However, the role of PACT in patients managed medically remains unknown. This observational cohort study enrolled patients with NSTE‐ACS receiving medical therapy from November 2014 to June 2017 in the Improving Care for Cardiovascular Disease in China‐Acute Coronary Syndrome project. Eligible patients were included in the PACT group and non‐PACT group. The primary outcomes were in‐hospital all‐cause mortality and major bleeding. The secondary outcome included minor bleeding. Among 23,726 patients, 8,845 eligible patients who received medical therapy were enrolled. After adjusting the potential confounders, PACT was not associated with a lower risk of in‐hospital all‐cause mortality (adjusted odds ratio (OR), 1.25; 95% confidence interval (CI), 0.92–1.71; P = 0.151). Additionally, PACT did not increase the incidence of major bleeding or minor bleeding (major bleeding: adjusted OR, 1.04; 95% CI, 0.80–1.35; P = 0.763; minor bleeding: adjusted OR, 1.27; 95% CI, 0.91–1.75; P = 0.156). The propensity score analysis confirmed the primary analyses. In patients with NSTE‐ACS receiving antiplatelet therapy, PACT was not associated with a lower risk of in‐hospital all‐cause mortality or a higher bleeding risk in patients with NSTE‐ACS receiving non‐invasive therapies and concurrent antiplatelet strategies. Randomized clinical trials are warranted to reevaluate the safety and efficacy of PACT in all patients with NSTE‐ACS who receive noninvasive therapies and current antithrombotic strategies.
Hi‐C 3.0: Improved Protocol for Genome‐Wide Chromosome Conformation Capture
Authors: Lafontaine Denis L. , Yang Liyan , Dekker Job , Gibcus Johan H. 
Published: July 2021

AbstractThe intricate folding of chromatin enables living organisms to store genomic material in an extremely small volume while facilitating proper cell function. Hi‐C is a chromosome conformation capture (3C)‐based technology to detect pair‐wise chromatin interactions genome‐wide, and has become a benchmark tool to study genome organization. In Hi‐C, chromatin conformation is first captured by chemical cross‐linking of cells. Cells are then lysed and subjected to restriction enzyme digestion, before the ends of the resulting fragments are marked with biotin. Fragments within close 3D proximity are ligated, and the biotin label is used to selectively enrich for ligated junctions. Finally, isolated ligation products are prepared for high‐throughput sequencing, which enables the mapping of pair‐wise chromatin interactions genome‐wide. Over the past decade, “next‐generation” sequencing has become cheaper and easier to perform, enabling more interactions to be sampled to obtain higher resolution in chromatin interaction maps. Here, we provide an in‐depth guide to performing an up‐to‐date Hi‐C procedure on mammalian cell lines. These protocols include recent improvements that increase the resolution potential of the assay, namely by enhancing cross‐linking and using a restriction enzyme cocktail. These improvements result in a versatile Hi‐C procedure that enables the detection of genome folding features at a wide range of distances. © 2021 The Authors. Current Protocols published by Wiley Periodicals LLC.Basic Protocol 1: Fixation of nuclear conformationBasic Protocol 2: Chromosome conformation captureBasic Protocol 3: Hi‐C sequencing library preparation
Multicriteria decisions and portfolio analysis: land acquisition for biological and social objectives
Authors: Krainyk Anastasia , Lyons James E. , Rice Mindy B. , Fowler Kenneth A. , Soulliere Gregory J. , Brasher Michael G. , Humburg Dale D. , Coluccy John M. 
Published: July 2021

AbstractResource allocation for land acquisition is a common multiobjective problem that involves complex trade‐offs. The National Wildlife Refuge System (NWRS) of the U.S. Fish and Wildlife Service currently uses the Targeted Resource Acquisition Comparison Tool (TRACT) to allocate funds from the Migratory Bird Conservation Fund (MBCF; established through the Migratory Bird Hunting and Conservation Act of 1934) for land acquisition based on cost–benefit analysis, regional priority rankings of candidate land parcels available for acquisition, and the overall biological contribution to duck population objectives. However, current policy encourages decision makers to consider societal and economic benefits of lands acquired, in addition to their biological benefits to waterfowl. These decisions about portfolio elements (i.e., individual land parcels) require an analysis of the difficult trade‐offs among multiple objectives. In the last decade the application of multicriteria decision analysis (MCDA) methods has been instrumental in aiding decision makers with complex multiobjective decisions. In this study, we present an alternative approach to developing land‐acquisition portfolios using MCDA and modern portfolio theory (MPT). We describe the development of a portfolio decision analysis tool using constrained optimization for land‐acquisition decisions by the NWRS. We outline the decision framework, describe development of the prototype tool in Microsoft Excel, and test the results of the tool using land parcels submitted as candidates for MBCF funding in 2019. Our results indicate that the constrained optimization outperformed the traditional TRACT method and ad hoc portfolios developed using current NWRS criteria.