bluuebunny/crossref_metadata_2025_split huggingface dataset:
Fluorescence Quenching Effects of Tetrazines and Their Diels–Alder Products: Mechanistic Insight Toward Fluorogenic Efficiency
Authors: Pinto‐Pacheco Brismar , Carbery William P. , Khan Sameer , Turner Daniel B. , Buccella Daniela 
Published: August 2020

AbstractInverse electron demand Diels–Alder reactions between s‐tetrazines and strained dienophiles have numerous applications in fluorescent labeling of biomolecules. Herein, we investigate the effect of the dienophile on the fluorescence enhancement obtained upon reaction with a tetrazine‐quenched fluorophore and study the possible mechanisms of fluorescence quenching by both the tetrazine and its reaction products. The dihydropyridazine obtained from reaction with a strained cyclooctene shows a residual fluorescence quenching effect, greater than that exerted by the pyridazine arising from reaction with the analogous alkyne. Linear and ultrabroadband two‐dimensional electronic spectroscopy experiments reveal that resonance energy transfer is the mechanism responsible for the fluorescence quenching effect of tetrazines, whereas a mechanism involving more intimate electronic coupling, likely photoinduced electron transfer, is responsible for the quenching effect of the dihydropyridazine. These studies uncover parameters that can be tuned to maximize fluorogenic efficiency in bioconjugation reactions and reveal that strained alkynes are better reaction partners for achieving maximum contrast ratio.
A Near‐Infrared Photo‐Switched MicroRNA Amplifier for Precise Photodynamic Therapy of Early‐Stage Cancers
Authors: Zhang Yue , Chen Weiwei , Zhang Yue , Zhang Xiaobo , Liu Ying , Ju Huangxian 
Published: August 2020

AbstractStimuli‐responsive photodynamic therapy (PDT) is a hot topic in precise medicine, but the low abundance of responsive trigger molecules in early‐stage disease limits application. Here we designed an amplifier with multiple upconversion luminances to achieve a near‐infrared photo‐switched cascade reaction triggered by specific microRNA and precise PDT of early‐stage cancers. This amplifier was composed of photo‐caged DNA nanocombs and an upconversion nanoparticle (UCNP) sensitized with IRDye 800CW. The nanocomb was prepared by assembling a photozipper‐protected hairpin and two kinds of hybridizable hairpin probes on a DNA skeleton. Upon 808‐nm light irradiation, the produced UV light cleaved off the photozipper to induce microRNA‐responsive cascade hybridization reaction, activating the photosensitizers linked to different hairpins to generate reactive oxygen species (ROS) under the simultaneously emitted blue light for efficient PDT.
Co‐crystal Prediction by Artificial Neural Networks**
Authors: Devogelaer Jan‐Joris , Meekes Hugo , Tinnemans Paul , Vlieg Elias , de Gelder René 
Published: August 2020

AbstractA significant amount of attention has been given to the design and synthesis of co‐crystals by both industry and academia because of its potential to change a molecule's physicochemical properties. Yet, difficulties arise when searching for adequate combinations of molecules (or coformers) to form co‐crystals, hampering the efficient exploration of the target's solid‐state landscape. This paper reports on the application of a data‐driven co‐crystal prediction method based on two types of artificial neural network models and co‐crystal data present in the Cambridge Structural Database. The models accept pairs of coformers and predict whether a co‐crystal is likely to form. By combining the output of multiple models of both types, our approach shows to have excellent performance on the proposed co‐crystal training and validation sets, and has an estimated accuracy of 80 % for molecules for which previous co‐crystallization data is unavailable.
Anti‐Markovnikov Hydroamination of Racemic Allylic Alcohols to Access Chiral γ‐Amino Alcohols
Authors: Xu Ruirui , Wang Kun , Liu Haoying , Tang Weijun , Sun Huaming , Xue Dong , Xiao Jianliang , Wang Chao 
Published: August 2020

AbstractA ruthenium‐catalyzed formal anti‐Markovnikov hydroamination of allylic alcohols for the synthesis of chiral γ‐amino alcohols is presented. Proceeding via an asymmetric hydrogen‐borrowing process, the catalysis allows racemic secondary allylic alcohols to react with various amines, affording enantiomerically enriched chiral γ‐amino alcohols with broad substrate scope and excellent enantioselectivities (68 examples, up to >99 % ee).
A Genetically Encoded RNA Photosensitizer for Targeted Cell Regulation
Authors: Ren Kewei , Keshri Puspam , Wu Rigumula , Sun Zhining , Yu Qikun , Tian Qian , Zhao Bin , Bagheri Yousef , Xie Yiwen , You Mingxu 
Published: August 2020

AbstractGenetically encoded RNA devices have emerged for various cellular applications in imaging and biosensing, but their functions as precise regulators in living systems are still limited. Inspired by protein photosensitizers, we propose here a genetically encoded RNA aptamer based photosensitizer (GRAP). Upon illumination, the RNA photosensitizer can controllably generate reactive oxygen species for targeted cell regulation. The GRAP system can be selectively activated by endogenous stimuli and light of different wavelengths. Compared with their protein analogues, GRAP is highly programmable and exhibits reduced off‐target effects. These results indicate that GRAP enables efficient noninvasive target cell ablation with high temporal and spatial precision. This new RNA regulator system will be widely used for optogenetics, targeted cell ablation, subcellular manipulation, and imaging.
Development and characterization of printable PLA/β‐TCP bioactive composites for bone tissue applications
Authors: Backes Eduardo Henrique , de Nóbile Pires Laís , Selistre‐de‐Araujo Heloisa Sobreiro , Costa Lidiane Cristina , Passador Fabio Roberto , Pessan Luiz Antonio 
Published: August 2020

AbstractIn this study, poly(lactic acid) (PLA) and PLA/β‐tricalcium phosphate (TCP) biocomposites were developed by melt compounding using an internal melt mixer with three different TCP contents (5, 10, and 25 wt%). A comprehensive analysis of the thermal, rheological, and mechanical properties of these biocomposites was performed. TCP presented proper distribution in the PLA/TCP biocomposites: PLA5TCP and PLA10TCP exhibited rheological behavior similar to that of neat PLA. However, PLA25TCP presented significant agglomeration and reduction in thermal stability. Addition of TCP to the biocomposites enhanced their bioactivity and biocompatibility. The bioactivity assay was conducted by immersing the samples in SBF solution for 7 and 21 days, and the SEM and XRD surface analyses of the PLA/TCP biocomposites presented evidence of carbonated hydroxyapatite formation. The biocompatibility assay was performed using the extract method until 7 days, and PLA10TCP presented improved relative cell viability compared with the control. Finally, since the materials presented suitable thermal and rheological properties, filaments for additive manufacturing (AM) were developed, and they were used to produce screw models for bone‐ligament fixation. The 3D printed screws exhibited excellent printability and accuracy. Therefore, the PLA/TCP biocomposites developed can be used in further biomedical applications using AM, namely, guided bone tissue engineering.
Peripheral carbazole or cyano substitutents in poly (aryl ether) based bipolar polymeric hosts: Increase the hole or electron injection properties for blue phosphorescent polymer light emitting diodes
Authors: Chen Jun , Chen Guo‐Jian , Fan Zhu‐Xin , Zhao Si‐Yu , Zhang Yi , Zhang Xin‐Wen , Zhao Qing‐Hua 
Published: August 2020

AbstractA series of poly (aryl ether) based bipolar polymer hosts, PCzOPOC8, PCzOPOCz, and PCzOPOCN with a peripheral carbazole or cyano unit which joins the main chain by a nonconjugated linker of a hexyl group, were synthesized and characterized. They depicted high triplet level (ET) (>2.80 eV), which was probably attributed to oxygen‐interrupted nonconjugated main chains of polymers as well as carbazole and phosphine oxide groups with highET. While doped with a 10 wt% typical blue phosphor {iridium(III)[bis(4,6‐difluoro phenyl)pyridinato‐N, C2]picolinate, FIrpic)}, compared with those of nonsubstituted PCzOPOC8 and peripheral cyano‐substituted PCzOPOCN, PCzOPOCz with carbazole moiety gave better performances due to balance of carrier flux from carbazole moiety with good hole transport ability.
Lightweight polyethylene‐hollow glass microspheres composites for rotational molding technology
Authors: Stagnaro Paola , Utzeri Roberto , Vignali Adriano , Falcone Giulio , Iannace Salvatore , Bertini Fabio 
Published: August 2020

AbstractInnovative composites based on polyethylene (PE) filled with hollow glass microspheres (HGMs) were formulated and successfully prepared as suitable plastic materials for rotational molding technology. The HGMs here used allow to attain lightweight materials with a reduced resin content and appealing aesthetical qualities. To enhance filler dispersion and phase adhesion, thus improving the ultimate properties of the composite materials, two compatibilization strategies were adopted: namely, surface modification of HGMs by dodecyl(triethoxy)silane or addition during mixing of a maleinized PE as in‐situ coupling agent. The effectiveness of the surface treatments on HGMs was assessed by attenuated total reflectance Fourier‐transform infrared spectroscopy and thermogravimetric analysis investigations. PE‐based composites at various HGMs contents (5, 10, and 20 wt%) were prepared by melt blending. Morphology of untreated and modified HGMs, their dispersion in the composites as well as filler/matrix adhesion were investigated by SEM microscopy. Thermal, rheological and mechanical properties of the composites were studied in comparison with neat PE. Rotational molding tests carried out both in laboratory and industrial site demonstrated the feasibility of producing lightweight plastic items (weight reduction up to 17%) of excellent aesthetics on a large scale.
Patterning of worm‐like soft polydimethylsiloxane structures using a TiO2 nanotubular array
Authors: Harito Christian , Lledo Rosa C. , Bavykin Dmitry V. , Moshrefi‐Torbati Mohamed , Islam Aminul , Yuliarto Brian , Walsh Frank C. 
Published: August 2020

AbstractPatterned polydimethylsiloxane (PDMS) is an important structure for soft lithography. Various materials have been deployed as mold for patterning PDMS. Anodized nanotubular array has been sought after as cost‐effective alternative for textured silicon. An array of TiO2 nanotubes with characteristic diameter ≈140 nm and the length of ≈1.5 microns, created by anodic oxidation of a titanium substrate, was used here as a template for soft PDMS molding. The optimal molding process was developed by a combination of silanization, use of solvent, application of a vacuum, and hydraulic pressing. The silanization was confirmed by Fourier transform infrared spectroscopy and contact angle measurements while the PDMS structure was examined by scanning electron microscope and energy dispersive X‐ray spectroscopy. Hydraulic pressing significantly improved the infiltration of PDMS into the pores of nanotubular array resulting in formation of PDMS nanobumps after separation of the polymer from the template. Complete infiltration of PDMS precursor into the cavity of nanotubes was observed on the hydraulic‐pressed sample without toluene impurities. The hydraulic‐pressed samples exhibited higher adhesion strength than nonpressed ones. The adhesive strength was measured by a simple experimental arrangement, in which the PDMS layer was stuck on a vertical glass surface followed by pulling it downwards.
Cancer in Systemic Sclerosis: Analysis of Antibodies Against Components of the Th/To Complex
Authors: Mecoli Christopher A. , Adler Brittany L. , Yang Qingyuan , Hummers Laura K. , Rosen Antony , Casciola‐Rosen Livia , Shah Ami A. 
Published: August 2020

ObjectiveThe aim of this study is to describe 4 of the most common autoantibodies against components of the Th/To complex: human POP1 (hPOP1), RPP25, RPP30, and RPP40. We report their prevalence and clinical characteristics in a systemic sclerosis (SSc) population, and determine whether these specificities are associated with cancer.MethodsA case–control study was performed using data from the Johns Hopkins Scleroderma Center Cohort. A total of 804 adult patients with SSc were included; 401 SSc patients with no history of cancer after at least 5 years of disease were compared to 403 SSc patients who ever had a history of cancer. Antibodies against hPOP1, RPP25, RPP30, and RPP40 were assayed by immunoprecipitation of 35S‐methionine–labeled proteins generated by in vitro transcription/translation. Demographic and clinical characteristics were compared between groups.ResultsOf 804 patients, 67 (8.3%) had antibodies against any component of the Th/To complex. Patients with antibodies to any component were significantly more likely to have limited cutaneous disease, less likely to have tendon friction rubs, and more likely to have findings consistent with interstitial lung disease or pulmonary hypertension. Patients with antibodies against hPOP1, RPP25, RPP30, and/or RPP40 were significantly less likely to develop cancer within 2 years of SSc onset (0% versus 11% of antibody‐negative patients; P = 0.009).ConclusionSSc patients who produce autoantibodies to components of the Th/To complex have a clinical phenotype characterized by limited cutaneous disease and pulmonary involvement. Our findings show that the presence of any Th/To autoantibody may have a protective effect against contemporaneous cancer.
Pretreatment of rice straw with recycled ionic liquids by phase‐separation process for low‐cost biorefinery
Authors: Wei Hao‐Lin , Wang Yu‐Tao , Hong Ying‐Ying , Zhu Ming‐Jun 
Published: August 2020

AbstractAn efficient ionic liquids (ILs) recycle technology will increase the economic viability of lignocellulosic biorefinery. The availability of recycling 1‐butyl‐3‐methylimidazolium chloride for rice straw (RS) pretreatment was conducted. The kosmotropic salt K3PO4 (TKP) solution was used as antisolvent for cellulose precipitation and forming a three‐phase system consisting of biomass, ILs‐rich, and salt‐rich phases. The upper ILs phase and the bottom TKP phase were recycled without additional purification, which significantly simplifies the process for recovering ILs. Subsequently, the RS pretreated with multiple reusing ILs (RPRS) were investigated by components analysis, structure evolution, enzymatic hydrolysis, and fermentation experiments. The results showed that unpurified reusing ILs led to further delignification and improvement of enzyme accessibility of the pretreated RS. The reducing sugar yield of RS pretreated with 8th reusing IL (8th RPRS) could still reach 98.9%, and the ethanol and succinic acid concentrations achieved 91.9 and 29.3 g/L by simultaneous saccharification and cofermentation. The present study demonstrated that the ILs recovered by phase‐separation process could be used for RS pretreatment, and achieving high titer ethanol fermentation.
Aptamer–17β‐estradiol–antibody sandwich ELISA for determination of gynecological endocrine function
Authors: Huang Yue , Zhang Li , Li Zhenzuo , Gopinath Subash C. B. , Chen Yeng , Xiao Yan 
Published: August 2020

Abstract17β‐Estradiol‐E2 (17β‐E2) is a steroid hormone that plays a major role in the reproductive endocrine system and is involved in various processes, such as pregnancy, fertility, and menopause. In this study, the performance of an enzyme‐linked immunosorbent assay (ELISA) for 17β‐E2 quantification was enhanced by using a gold nanoparticle (GNP)‐conjugated aptamer. An anti‐17β‐E2–aptamer–GNP antibody was immobilized on an amine‐modified ELISA surface. Then, 17β‐E2 was allowed to interact with and be sandwiched by antibodies. Aptamer–GNP conjugation was confirmed by colorimetric assays via the naked eye and UV–visible light spectroscopy. The detection limit based on a signal‐to‐noise ratio (S/N) of 3 was estimated to be 1.5 nM (400 pg/mL), and the linear range was 1.5–50 nM. Control experiments (without 17β‐E2/with a complementary aptamer sequence/with a nonimmune antibody) confirmed the specific detection of 17β‐E2. Moreover, 17β‐E2 spiking of human serum did not interrupt the interaction between 17β‐E2 and its antibody and aptamer. Thus, the developed ELISA can be used as an alternate assay for quantification of 17β‐E2 and assessment of endocrine‐related gynecological problems.
Rational backbone redesign of a fructosyl peptide oxidase to widen its active site access tunnel
Authors: Rigoldi Federica , Donini Stefano , Torretta Archimede , Carbone Anna , Redaelli Alberto , Bandiera Tiziano , Parisini Emilio , Gautieri Alfonso 
Published: August 2020

AbstractFructosyl peptide oxidases (FPOXs) are enzymes currently used in enzymatic assays to measure the concentration of glycated hemoglobin and albumin in blood samples, which serve as biomarkers of diabetes. However, since FPOX are unable to work directly on glycated proteins, current enzymatic assays are based on a preliminary proteolytic digestion of the target proteins. Herein, to improve the speed and costs of the enzymatic assays for diabetes testing, we applied a rational design approach to engineer a novel enzyme with a wider access tunnel to the catalytic site, using a combination of Rosetta design and molecular dynamics simulations. Our final design, L3_35A, shows a significantly wider and shorter access tunnel, resulting from the deletion of five‐amino acids lining the gate structures and from a total of 35 point mutations relative to the wild‐type (WT) enzyme. Indeed, upon experimental testing, our engineered enzyme shows good structural stability and maintains significant activity relative to the WT.
Transparency in surgical randomized clinical trials: cross-sectional observational study
Authors: Helliwell J A , Shelton B , Mahmood H , Blanco-Colino R , Fitzgerald J E , Harrison E M , Bhangu A , Chapman S J 
Published: August 2020

Abstract

Background
RCTs provide the scientific basis upon which treatment decisions are made. To facilitate critical review, it is important that methods and results are reported transparently. The aim of this study was to explore transparency in surgical RCTs with respect to trial registration, disclosure of funding sources, declarations of investigator conflicts and data-sharing.

Methods
This was a cross-sectional review of published surgical RCTs. Ten high-impact journals were searched systematically for RCTs published in years 2009, 2012, 2015 and 2018. Four domains of transparency were explored: trial registration, disclosure of funding, disclosure of investigator conflicts, and a statement relating to data-sharing.

Results
Of 611 RCTs, 475 were eligible for analysis. Some 397 RCTs (83.6 per cent) were registered on a trial database, of which 190 (47·9 per cent) had been registered prospectively. Prospective registration increased over time (26 per cent in 2009, 33·0 per cent in 2012, 54 per cent in 2015, and 72·7 per cent in 2018). Funding disclosure was present in 55·0, 65·0, 69·4 and 75·4 per cent of manuscripts respectively. Conflict of interest disclosure was present in 49·5, 89·1, 94·6 and 98·3 per cent of manuscripts across the same time periods. Data-sharing statements were present in only 15 RCTs (3·2 per cent), 11 of which were published in 2018.

Conclusion
Trial registration, disclosure of funding and disclosure of investigator conflicts in surgical RCTs have improved markedly over the past 10 years. Disclosure of data-sharing plans is exceptionally low. This may contribute to research waste and represents a target for improvement.
Collagen‐rich deposit formation in the sciatic nerve after injury and surgical repair: A study of collagen‐producing cells in a rabbit model
Authors: Fertala Jolanta , Rivlin Michael , Wang Mark L. , Beredjiklian Pedro K. , Steplewski Andrzej , Fertala Andrzej 
Published: August 2020

AbstractIntroductionPosttraumatic scarring of peripheral nerves produces unwanted adhesions that block axonal growth. In the context of surgical nerve repair, the organization of the scar tissue adjacent to conduits used to span the gap between the stumps of transected nerves is poorly understood. The goal of this study was to elucidate the patterns of distribution of collagen‐rich scar tissue and analyze the spatial organization of cells that produce fibrotic deposits around and within the conduit's lumen.MethodsEmploying a rabbit model of sciatic nerve transection injury, we studied the formation of collagen‐rich scar tissue both inside and outside conduits used to bridge the injury sites. Utilizing quantitative immunohistology and Fourier‐transform infrared spectroscopy methods, we measured cellular and structural elements present in the extraneural and the intraneural scar of the proximal and distal nerve fragments.ResultsAnalysis of cells producing collagen‐rich deposits revealed that alpha‐smooth muscle actin‐positive myofibroblasts were only present in the margins of the stumps. In contrast, heat shock protein 47‐positive fibroblasts actively producing collagenous proteins were abundant within the entire scar tissue. The most prominent site of transected sciatic nerves with the highest number of cells actively producing collagen‐rich scar was the proximal stump.ConclusionOur findings suggest the proximal region of the injury site plays a prominent role in pro‐fibrotic processes associated with the formation of collagen‐rich deposits. Moreover, they show that the role of canonical myofibroblasts in peripheral nerve regeneration is limited to wound contracture and that a distinct population of fibroblastic cells produce the collagenous proteins that form scar tissue. As scarring after nerve injury remains a clinical problem with poor outcomes due to incomplete nerve recovery, further elucidation of the cellular and spatial aspects of neural fibrosis will lead to more targeted treatments in the clinical setting.
US‐guided vascular access and left ventricular rapid pacing in TAVR: Two simple points that may improve patients' outcomes
Authors: Musumeci Giuseppe , Albani Stefano 
Published: August 2020

Key Points
The use of US‐guided vascular access and left ventricular rapid pacing could significantly reduce TAVR‐related complications.
This study suggests simple tricks to keep the procedure safer.
Further multicenter studies are needed to confirm the present data.
Minimalist transfemoral transcatheter aortic valve replacement: Make it as simple as possible, but not simpler
Authors: Tarantini Giuseppe , Fabris Tommaso 
Published: August 2020

Key Points
Transfemoral (TF) transcatheter aortic valve replacement (TAVR) has evolved dramatically. Improvements in technique, devices, operator's experience, and patient selection have resulted in markedly lower rates of procedural complications, thus allowing further technical simplification at every step of the procedure.
Implementing a minimalist approach for TF TAVR (including transradial secondary access, angio‐guidewire‐ultrasound guidance for femoral puncture, and left ventricle guidewire pacing) may improve outcomes and reduce complications without compromising patient safety in contemporary clinical practice.
Although this simplified approach is applicable for most patients undergoing TF TAVR, careful patient selection remains of paramount importance.
What about a larger closure device?
Authors: Cilingiroglu Mehmet , Kilic Ismail 
Published: August 2020

Key Points
There is an exponential growth in the numbers of procedures requiring large‐bore access.
InSeal vascular closure device (VCD) is a novel device that seals the puncture with a biodegradable membrane, which is supported by a self‐expanding nitinol frame.
The current study suggests that the InSeal VCD is safe and effective in achieving hemostasis after transcatheter aortic valve replacement.