bluuebunny/crossref_metadata_2025_split huggingface dataset:
Sprayable Thin and Robust Carbon Nanofiber Composite Coating for Extreme Jumping Dropwise Condensation Performance
Authors: Donati Matteo , Lam Cheuk Wing Edmond , Milionis Athanasios , Sharma Chander Shekhar , Tripathy Abinash , Zendeli Armend , Poulikakos Dimos 
Published: November 2020

AbstractCondensation of water on metallic surfaces is critical for multiple energy conversion processes. Enhancement in condensation heat transfer efficiency often requires surface texturing and hydrophobicity, usually achieved through coatings, to maintain dropwise condensation. However, such surface treatments face conflicting challenges of minimal coating thermal resistance, enhanced coating durability, and scalable fabrication. This study presents a thin (≈2 µm) polytetrafluoroethylene–carbon nanofiber nanocomposite coating that meets these challenges and sustains coalescence‐induced jumping droplet condensation for extended periods under highly demanding condensation conditions. Coating durability is achieved through improved substrate adhesion by depositing a submicron thick aluminum primer layer. Carbon nanofibers in a polytetrafluoroethylene matrix increase coating thermal conductivity and promote spontaneous surface nanotexturing to achieve superhydrophobicity for condensate microdroplets. The coating material can be deposited through direct spraying, ensuring economical scalability and versatility for a wide range of substrates. No other coating is known for metallic surfaces that is able to sustain jumping dropwise condensation under shear of steam at 111 °C flowing at ≈3 m s−1 over the surface for 10 h and dropwise condensation for an additional 50 h. Up to ≈900% improvement in condensation heat transfer coefficient is achieved compared to conventional filmwise condensation.
Self‐Assembled Rolled‐Up Microcoils for nL Microfluidics NMR Spectroscopy
Authors: Lepucki Piotr , Egunov Aleksandr I. , Rosenkranz Marco , Huber Renato , Mirhajivarzaneh Alaleh , Karnaushenko Dmitry D. , Dioguardi Adam P. , Karnaushenko Daniil , Büchner Bernd , Schmidt Oliver G. , Grafe Hans‐Joachim 
Published: November 2020

AbstractSeveral attempts are made to downscale nuclear magnetic resonance (NMR) spectroscopy systems and to enable high resolution chemical analysis of small sample quantities. However, miniaturization is nontrivial due to stringent demands on precise analyte sampling within the detector while performing local excitation of the sample and signal detection with a microsized coil. Imperfect coil geometry and inhomogeneities in the coil's surrounding environment have a detrimental impact on the signal quality, hampering further development of miniature NMR systems. To solve this challenge, a new type of monolithic wafer‐scale self‐assembled microcoils with a detection volume of 1.5 nL are integrated into a microfluidics circuit. The microcoils are fully encapsulated in polydimethylsiloxane (PDMS) allowing for simplified and precise supply of an analyte through the interior of the detector. Due to their construction, with the inner winding touching the analyte, the microcoils have an almost 100% filling factor. Magnetic field inhomogeneities are reduced through well‐defined microtubular architectures and susceptibility matched conductors. This approach results in a spectral linewidth of only 8 ppb with shimming and 22 ppb without shimming. The demonstrated methodology promotes the realization of next generation miniaturized analytical NMR systems for product monitoring, safety verification, medical testing, and material evaluation.
Hydrogel‐Based Diffractive Optical Elements (hDOEs) Using Rapid Digital Photopatterning
Authors: Xiong Zheng , Kunwar Puskal , Soman Pranav 
Published: November 2020

AbstractHydrogels, due to their optical transparency and biocompatibility, have emerged as an excellent alternative to conventional optical materials for biomedical applications. Advances in microfabrication techniques have helped convert conventional hydrogels into optically functional materials such as hydrogel‐based diffraction optical elements (hDOEs). However, key challenges related to device customization and ease/speed of fabrication need to be addressed to enable widespread utility and acceptance of hDOEs in the field. Here, rapid printing of customized hDOEs is reported on polyethylene glycol diacrylate (PEGDA) hydrogel using digital photopatterning; a novel method that combines simulated computer‐generated hologram (SCGH) and projection photolithography. To showcase the versatility of this approach, a range of hDOEs are demonstrated, including 1D/2D diffraction gratings, Dammann grating, Fresnel zone plate (FZP) lens, fork‐shaped grating, and computer‐generated hologram (CGH) of arbitrary pattern. Results demonstrate that printed hDOEs exhibit optical performance that is comparable with devices made with conventional materials. This versatile strategy can be potentially implemented with other photosensitive hydrogels to achieve user‐defined hDOEs in a time‐efficient and cost‐effective fashion.
Mn‐Substituted Tunnel‐Type Polyantimonic Acid Confined in a Multidimensional Integrated Architecture Enabling Superfast‐Charging Lithium‐Ion Battery Anodes
Authors: Wang Boya , Wei Yunhong , Fang Haoyu , Qiu Xiaoling , Zhang Qiaobao , Wu Hao , Wang Qian , Zhang Yun , Ji Xiaobo 
Published: November 2020

AbstractGiven the inherent features of open tunnel‐like pyrochlore crystal frameworks and pentavalent antimony species, polyantimonic acid (PAA) is an appealing conversion/alloying‐type anode material with fast solid‐phase ionic diffusion and multielectron reactions for lithium‐ion batteries. Yet, enhancing the electronic conductivity and structural stability are two key issues in exploiting high‐rate and long‐life PAA‐based electrodes. Herein, these challenges are addressed by engineering a novel multidimensional integrated architecture, which consists of 0D Mn‐substituted PAA nanocrystals embedded in 1D tubular graphene scrolls that are co‐assembled with 2D N‐doped graphene sheets. The integrated advantages of each subunit synergistically establish a robust and conductive 3D electrode framework with omnidirectional electron/ion transport network. Computational simulations combined with experiments reveal that the partial‐substitution of H3O+ by Mn2+ into the tunnel sites of PAA can regulate its electronic structure to narrow the bandgap with increased intrinsic electronic conductivity and reduce the Li+ diffusion barrier. All above merits enable improved reaction kinetics, adaptive volume expansion, and relieved dissolution of active Mn2+/Sb5+ species in the electrode materials, thus exhibiting ultrahigh rate capacity (238 mAh g−1 at 30.0 A g−1), superfast‐charging capability (fully charged with 56% initial capacity for ≈17 s at 80.0 A g−1) and durable cycling performance (over 1000 cycles).
Disability and sex/gender intersections in unmet workplace support needs: Findings from a large Canadian survey of workers
Authors: Jetha Arif , Gignac Monique A. M. , Ibrahim Selahadin , Martin Ginis Kathleen A. 
Published: November 2020

AbstractIntroductionIndividual attributes including disability and sex/gender have the potential to intersect and determine the likelihood of unmet workplace support needs. Our study compares unmet workplace support needs between workers with and without a disability, and according to disability type and sex/gender differences.MethodsWorkers with (n = 901) and without (n = 895) a disability were surveyed to examine their need and use of workplace supports including job accommodations, work modifications and health benefits. A multivariable logistic model was conducted to examine the relationship between disability status, disability type and sex/gender and unmet workplace support needs. The model included interaction terms between sex/gender × physical disability, sex/gender × nonphysical disability, and sex/gender × physical and nonphysical disability.ResultsAmong participants with a disability, 24% had a physical disability, 20% had a nonphysical disability (e.g., cognitive, mental/emotional or sensory disability) and 56% had both physical and nonphysical disability. Over half of the respondents were women (56%). Results from the multivariable model showed that nondisabled women were more likely to report unmet workplace support needs when compared to nondisabled men (odds ratio [OR] = 1.54, 95% confidence interval [CI], 1.13–2.10). Findings also showed an intersection between the number and type of disability and sex/gender; women with both a physical and nonphysical disability had the greatest likelihood of reporting unmet workplace support needs when compared to nondisabled men (OR = 2.73; 95% CI, 1.83–4.08).ConclusionsBeing a woman and having one or more disabilities can determine unmet workplace support needs. Strategies to address workplace support needs should consider the intersection between disability and sex/gender differences.
Atomically Precise Preorganization of Open Metal Sites on Gold Nanoclusters with High Catalytic Performance
Authors: Yuan Shang‐Fu , Lei Zhen , Guan Zong‐Jie , Wang Quan‐Ming 
Published: November 2020

AbstractGold nanoclusters with surface open sites are crucial for practical applications in catalysis. We have developed a surface geometric mismatch strategy by using mixed ligands of different type of hindrance. When bulky phosphine Ph3P and planar dipyridyl amine (Hdpa) are simultaneously used, steric repulsion between the ligands will reduce the ligand coverage of gold clusters. A well‐defined access granted gold nanocluster [Au23(Ph3P)10(dpa)2Cl](SO3CF3)2 (Au23, dpa=dipyridylamido) has been successfully synthesized. Single crystal structural determination reveals that Au23 has eight uncoordinated gold atoms in the shape of a distorted bicapped triangular prism. The accessibility of the exposed Au atoms has been confirmed quantitatively by luminescent titration with 2‐naphthalenethiol. This cluster has excellent performance toward selective oxidation of benzyl alcohol to benzaldehyde and demonstrates excellent stability due to the protection of negatively charged multidentate ligand dpa.
Phenylpyridyl‐Fused Boroles: A Unique Coordination Mode and Weak B−N Coordination‐Induced Dual Fluorescence
Authors: He Jiang , Rauch Florian , Friedrich Alexandra , Krebs Johannes , Krummenacher Ivo , Bertermann Rüdiger , Nitsch Jörn , Braunschweig Holger , Finze Maik , Marder Todd B. 
Published: November 2020

AbstractUsing 4‐phenylpyridine or 2‐phenylpyridine in place of biphenyl, two electron‐poor phenylpyridyl‐fused boroles, [TipPBB1]4 and TipPBB2 were prepared. [TipPBB1]4 adopts a unique coordination mode and forms a tetramer with a cavity in both the solid state and solution. The boron center of TipPBB2 is 4‐coordinate in the solid state but the system dissociates in solution, leading to 3‐coordinate borole species. Compared to its borafluorene analogues, the electron‐accepting ability of TipPBB2 is largely enhanced by the pyridyl group. TipPBB2 exhibits dual fluorescence in solution due to an equilibrium between free TipPBB2 and a weak intermolecular coordination adduct with a second molecule. This equilibrium was further investigated by low‐temperature NMR spectroscopy and photophysical studies. Theoretical studies indicate that the highest occupied molecular orbital (HOMO) of TipPBB2 localizes at the Tip group, in contrast to its borafluorene derivatives, wherein the HOMOs are localized on the borafluorene cores.
Catalytic Synthesis of Potassium Acyltrifluoroborates (KATs) from Boronic Acids and the Thioimidate KAT Transfer Reagent
Authors: Schuhmacher Anne , Ryan Sarah J. , Bode Jeffrey W. 
Published: November 2020

AbstractWe report the synthesis of potassium acyltrifluoroborates (KATs) by a palladium‐catalyzed cross‐coupling of boronic acids and the thioimidate KAT transfer reagent. The combination of widely available aryl‐ and vinylboronic acids with commercially available thioimidate 1 using catalytic PdII and a CuII additive enables the preparation of KATs in high yields and with good functional group tolerance. This formal insertion of CO into organoboronic acids can also be applied to boronic acid pinacol esters and potassium organotrifluoroborates using a slightly modified procedure. The cross‐coupling can be telescoped into the one‐pot synthesis of amides and α‐aminotrifluoroborates by exploiting the unique chemistry of KATs and their trifluoroborate iminium (TIM) derivatives.
Renormalized Flory‐Huggins lattice model of physicochemical kinetics and dynamic complexity in self‐healing double‐network hydrogel
Authors: Xing Ziyu , Lu Haibao , Hossain Mokarram 
Published: November 2020

AbstractSelf‐healing capability offers great designability on mechanical properties of double‐network (DN) hydrogel. However, the thermodynamics understanding behind such physicochemical transitions and self‐healing behaviors are yet to be explored properly. This study describes a renormalized Flory‐Huggins lattice model for DN hydrogels, of which the physicochemical kinetics and dynamic complexity are resulted from stress‐induced bond scission and macromolecule rearrangement. Based on the Flory‐Huggins lattice model and Gaussian distribution theory, an extended free‐energy model was formulated by the steric repulsive free‐energy function. Afterwards, the function was used to identify the working mechanisms and thermodynamics in self‐healing DN hydrogels with ultra‐high mechanical strength. Finally, the effectiveness of model was demonstrated by applying it to predict the mechanical behaviors of DN hydrogels, where the analytical results showed good agreements with experiment data.
Performance enhancement of nanofiltration membranes via surface modification with a novel acylation reagent
Authors: Qin Yitian , Zhang Zhao , Kang Guodong , Zhu Zhihao , Yu Haijun , Cao Yiming 
Published: November 2020

AbstractAcyl chloride monomers have been serving as the dominant acylation reagent for preparing thin‐film composite (TFC) nanofiltration (NF) membranes over the past few decades. Herein, a novel acylation reagent (trimellitic anhydride, TMA) was exploited in conjunction with trimesoyl chloride (TMC) to undergo interfacial polymerization with piperazine (PIP) on the polysulfone substrate membranes. The introduction of TMA enabled the deeper diffusion of PIP monomers into the organic phase, resulting in the creation of novel circular‐shaped protuberances on the top surface of the polyamide layer and the significant increase in the effective membrane area. Besides, abundant in‐situ carboxylic groups were generated in the polyamide layer, conducive to both the surface hydrophilicity and negative charge density. Consequently, with an addition of 0.03 wt% TMA, pure water flux reached up to 15.3 L m−2 hour−1 bar−1, almost 2.2 times that of the pristine membrane, and high rejection of Na2SO4 (97.3%) was maintained, evincing the superior desalination performance of the TMA‐modified membranes. The interaction mechanism between TMA, TMC, and PIP was described in detail. Furthermore, the TMA‐modified membranes exhibited a stable separation performance over the long‐running process.
Process economics evaluation of cell‐free synthesis for the commercial manufacture of antibody drug conjugates
Authors: Stamatis Christos , Farid Suzanne S. 
Published: November 2020

AbstractContinuous improvements of cell‐free synthesis (CFS) systems have generated interest in adopting the technology for the manufacture of biologics. This paper provides an evaluation of the manufacturing cost‐effectiveness of CFS for the commercial production of antibody‐drug conjugates (ADCs). The evaluation was performed using an advanced techno‐economic engine (TEE) built in Python. The TEE is programmed in an object‐oriented environment capable of simulating a plethora of process flowsheets and predicting size and cost metrics for the process and the facility. A case study was formulated to compare the economics of whole bioprocesses based on either a CFS system or a mammalian cell system (CHO) for the manufacture of an ADC at a range of product demands. The analysis demonstrated the potential of CFS for the commercial manufacture of biologics and identified key cost drivers related to the system. The CFS system showed an approximately 80% increase in the cost of goods compared to CHO with a significant cost attributed to the in‐house manufacture of the bacterial cell extract, necessary for the CFS reaction step in the process. A sensitivity and target analysis highlighted the need for further process improvements especially in the titer for the CFS process to become more competitive against well‐established systems.
Inhibitory effects of astilbin, neoastilbin and isoastilbin on human cytochrome CYP3A4 and 2D6 activities
Authors: Shi Yurui , Xie Jing , Chen Rongda , Liu Guiming , Tao Yanzhou , Fan Yangyang , Wang Xiaolin , Li Li , Xu Jiaming 
Published: November 2020

AbstractAstilbin, neoastilbin and isoastilbin are three flavonoid isomers from Smilacis glabrae Roxb. (S. glabrae). Several studies have shown that consumption of flavonoids can increase the risk of food/drug–drug interaction by affecting the activities of human cytochrome CYP3A4 and 2D6. In the present study, an ultrahigh‐performance liquid chromatography and triple quadrupole mass spectrometry method was developed for the determination of the interaction between three flavonoid isomers and two CYPs. Under the optimized reaction conditions, the Km values were 18.9 and 36.4 μM and the Vmax values were 0.02 and 0.20 μM/min for CYP3A4 and 2D6 in vitro, respectively. Astilbin showed the strongest inhibition on CYP3A4, followed by isoastilbin and neoastilbin with IC50 values of 2.63, 3.03 and 6.51 μM. Neoastilbin showed the strongest inhibition on CYP2D6, followed by isoastilbin and astilbin, with IC50 values of 1.48, 11.87 and 14.16 μM, respectively. The three isomers showed reversible inhibition on both enzymes. Neoastilbin and astilbin were noncompetitive type for CYP3A4 and 2D6, isoastilbin was a mixture and noncompetitive type for CYP3A4 and 2D6, respectively. Our study suggests that the three isomers may increase the risk of food/drug–drug interactions by affecting the activities of CYP3A4 and 2D6.
β‐Cyclodextrin Encapsulation of Synthetic AHLs: Drug Delivery Implications and Quorum‐Quenching Exploits
Authors: Ziegler Eric W. , Brown Alan B. , Nesnas Nasri , Chouinard Christopher D. , Mehta Anil K. , Palmer Andrew G. 
Published: November 2020

AbstractMany bacteria, such as Pseudomonas aeruginosa, regulate phenotypic switching in a population density‐dependent manner through a phenomenon known as quorum sensing (QS). For Gram‐negative bacteria, QS relies on the synthesis, transmission, and perception of low‐molecular‐weight signal molecules that are predominantly N‐acyl‐l‐homoserine lactones (AHLs). Efforts to disrupt AHL‐mediated QS have largely focused on the development of synthetic AHL analogues (SAHLAs) that are structurally similar to native AHLs. However, like AHLs, these molecules tend to be hydrophobic and are poorly soluble under aqueous conditions. Water‐soluble macrocycles, such as cyclodextrins (CDs), that encapsulate hydrophobic guests have long been used by both the agricultural and pharmaceutical industries to overcome the solubility issues associated with hydrophobic compounds of interest. Conveniently, CDs have also demonstrated anti‐AHL‐mediated QS effects. Here, using fluorescence spectroscopy, NMR spectrometry, and mass spectrometry, we evaluate the affinity of SAHLAs, as well as their hydrolysis products, for β‐CD inclusion. We also evaluated the ability of these complexes to inhibit wild‐type P. aeruginosa virulence in a Caenorhabditis elegans host infection study, for the first time. Our efforts confirm the potential of β‐CDs for the improved delivery of SAHLAs at the host/microbial interface, expanding the utility of this approach as a strategy for probing and controlling QS.
Severe cryoglobulinemia with cerebral infarction successfully treated with steroid and rituximab: A case report
Authors: Yagi Naoko , Yoshimura Takuro , Nakamae Hirohisa , Hayashi Daisuke , Tanaka Yasuyuki , Ichikawa Yoshitaka , Hino Masayuki 
Published: November 2020

AbstractWe report the case of severe cryoglobulinemia with cerebral infarction and ischemic cardiac disease successfully treated with steroid and rituximab.
Surgical repair of large pulmonary artery to left atrium fistula
Authors: Hussain Alaa , Younis Muhamed , Srour Samir , Saleh Mohamed , Ismael Mohammed 
Published: November 2020

AbstractWe report a successful surgical closure of a rught pulmonary artery to left atrium fistula (RPALAF) with secondary atrial septal defect (ASD) in a 3.5 years old girl. These fistulae are rare cause of cyanosis and require early diagnosis and treatment to prevent the serious complications of them.
Roles of Enhancement of C−H Activation and Diminution of C−O Formation Within M1‐Phase Pores in Propane Selective Oxidation
Authors: Liu Yilang , Twombly Adam , Dang Yanliu , Mirich Anne , Suib Steven L. , Deshlahra Prashant 
Published: November 2020

AbstractPropane and propene oxidations on M1 phase MoVTeNb mixed oxide catalysts exhibit relatively high selectivity to acrolein and acrylic acid. We probe the ability of the reactant molecules to access the catalytic sites inside the heptagonal pores of these oxides and analyze elementary steps that limit selectivity. Measured propane/cyclohexane activation rate ratios on MoVTeNbO are nearly an order of magnitude higher than non‐microporous VOx/SiO2, which suggests significant contribution of M1 phase pores to propane activation because both molecules react via homologous rate‐limiting C−H activation. Density functional theory suggests that desired C3H8 dehydrogenation and C3H6 allylic oxidation to acrolein and acrylic acid are limited by C−H activation steps, while less valuable oxygenates form via steps limited by C−O bond formation. Calculated activation barriers for C−O formation are invariably higher than C−H activation when these activations occur inside the pores, suggesting that reactions restricted within the pores are highly selective to desired products. These results demonstrate the role of pore confinement and a framework to assess selectivity limitation in hydrocarbon oxidations involving a complex network of sequential and parallel steps.
Manganese Oxide as an Inorganic Catalyst for the Oxygen Evolution Reaction Studied by X‐Ray Photoelectron and Operando Raman Spectroscopy
Authors: Radinger Hannes , Connor Paula , Stark Robert , Jaegermann Wolfram , Kaiser Bernhard 
Published: November 2020

AbstractManganese oxide (MnOx) is considered a promising material for the oxygen evolution reaction (OER) to replace noble metal catalysts in water splitting. The improvement of MnOx requires mechanistic and kinetic knowledge of the four‐electron transfer steps of the OER. X‐ray photoelectron spectroscopy, a widely used tool to characterize the electronic structure of thin films, is used in combination with surface‐enhanced Raman spectroscopy to gain a deeper knowledge of the different mixed MnOx types and their respective change in chemical composition. Using Raman spectroscopy during electrochemical measurements, all samples were found to reveal Birnessite‐type MnO2 motifs in alkaline media at an applied potential. Their activity correlates with two shifting Raman active modes, one of them being assigned to the formation of MnIII species, and one to the expansion of layers of MnO6 octahedra. A special activation treatment leads independent of the starting material to a highly amorphous mixed‐valence oxide, which shows the highest OER activity.