bluuebunny/crossref_metadata_2025_split huggingface dataset:
Data‐driven prediction and optimization of liquid wettability of an initiated chemical vapor deposition‐produced fluoropolymer
Authors: Schwartz Daniel , Nguyen Tien , Chen Zhengtao , Lau Kenneth K. S. , Grady Michael C. , Shokoufandeh Ali , Soroush Masoud 
Published: March 2022

AbstractInitiated chemical vapor deposition (iCVD) is a reactive process that creates polymeric materials on a surface from vapor‐phase monomers and thermal initiators. Our iCVD synthesis of poly(perfluorodecyl acrylate) (PPFDA) resulted in the growth of micro‐ and nano‐worms normal to the surface. The micro‐ and nanostructures of the worms directly depend on iCVD process conditions. They in turn influence bulk properties such as their liquid wettability. The current absence of a physiochemical model that can explain the relationships between iCVD process conditions and bulk properties of the polymers motivates the use of data‐driven modeling to capture and describe the relationships. In this work, we report iCVD data (contact angles of heptane, octane, and water on PPFDA and process conditions) from 49 batches and use artificial neural networks to model the relationships. The models are then used to determine the optimal iCVD process conditions that maximize the contact angles on PPFDA.
Chiral Symmetry Breaking of Monoacylated Anhydroerythritols and meso‐1,2‐Diols through Crystallization‐Induced Deracemization
Authors: Sanada Kazutaka , Washio Aoi , Ishikawa Hiroki , Yoshida Yasushi , Mino Takashi , Sakamoto Masami 
Published: March 2022

AbstractWe developed a chiral symmetry breaking method for monoacylated meso diols. The X‐ray crystal structure analysis of monoacylated 1,4‐anhydroerythritols, meso cyclic diols with a cis configuration, revealed that the O‐(p‐anisoyl) derivative crystallized as a racemic conglomerate of the P212121 crystal system. It was confirmed that the substrate racemized by intramolecular transfer of the acyl group in the presence of a catalytic amount of base. Evaporating the solvent gradually from the solution or Viedma ripening to promote crystallization‐induced deracemization efficiently led to enantiomer crystals. These results provide the first successful example of asymmetric expression and amplification by deracemization of sugar derivatives without an external chemical chiral source. Furthermore, we applied this methodology to acyclic meso‐1,2‐diols. Three O‐monoacylated substrates were successfully deracemized to 99 % ee by Viedma ripening. We also developed asymmetric desymmetrization of meso‐1,2‐diols by combining acylation and crystallization‐induced deracemization.
Intramolecular Partners in Asymmetric Catalysis Copolymerization: Highly Enantioselective and Controllable at Enhanced Temperatures and Low Loadings
Authors: Li Yi‐Ning , Liu Ye , Yang Han‐Han , Zhang Wen‐Fu , Lu Xiao‐Bing 
Published: March 2022

AbstractAsymmetric copolymerization of meso‐epoxide and anhydride is a powerful strategy for preparing various isotactic polyesters with two contiguous stereogenic centers. However, the previous binary systems suffered from slow rates at low loadings, poor enantioselectivities and transesterification reactions at enhanced temperatures. Herein, we report novel dinuclear aluminium complexes with multiple chiralities and ammonium salts anchored on ligand frameworks. These bifunctional catalysts exhibit high activities and enantioselectivities for epoxides/anhydrides copolymerizations at harsh conditions via intramolecularly synergistic catalysis, affording polyesters with unprecedented molecular weights and narrow distributions. Notably, no transesterification reactions were observed, significantly different from the binary catalyst/cocatalyst pairs. This study represents a rare example regarding temperature‐independent asymmetric induction for preparing chiral polymers from achiral monomers.
Studying the Key Intermediate of RNA Autohydrolysis by Cryogenic Gas‐Phase Infrared Spectroscopy
Authors: Greis Kim , Kirschbaum Carla , Taccone Martín I. , Götze Michael , Gewinner Sandy , Schöllkopf Wieland , Meijer Gerard , von Helden Gert , Pagel Kevin 
Published: March 2022

AbstractOver the course of the COVID‐19 pandemic, mRNA‐based vaccines have gained tremendous importance. The development and analysis of modified RNA molecules benefit from advanced mass spectrometry and require sufficient understanding of fragmentation processes. Analogous to the degradation of RNA in solution by autohydrolysis, backbone cleavage of RNA strands was equally observed in the gas phase; however, the fragmentation mechanism remained elusive. In this work, autohydrolysis‐like intermediates were generated from isolated RNA dinucleotides in the gas phase and investigated using cryogenic infrared spectroscopy in helium nanodroplets. Data from both experiment and density functional theory provide evidence for the formation of a five‐membered cyclic phosphate intermediate and rule out linear or six‐membered structures. Furthermore, the experiments show that another prominent condensed‐phase reaction of RNA nucleotides can be induced in the gas phase: the tautomerization of cytosine. Both observed reactions are therefore highly universal and intrinsic properties of the investigated molecules.
Gadolinium Changes the Local Electron Densities of Nickel 3d Orbitals for Efficient Electrocatalytic CO2 Reduction
Authors: Liu Weiqi , Bai Peiyao , Wei Shilin , Yang Chuangchuang , Xu Lang 
Published: March 2022

AbstractGenerally, in terms of electrocatalytic CO2 reduction, single‐atom catalysts show high selectivities yet low current densities whereas conventional nanoparticle catalysts exhibit relatively high current densities but low selectivities. This work combines the advantages of the two classes of catalysts by constructing a Ni‐Gd‐N‐doped carbon black electrocatalyst within which NiI active sites are exposed outside the carbon layers and Ni nanoparticles are encapsulated inside the carbon layers. The Gd atoms can not only influence the local electron densities of Ni 3d orbitals, thus strengthening the electronic activity, but also tailor the sizes of the Ni nanoparticles, thereby minimizing the activity toward hydrogen evolution. Accordingly, this electrocatalyst yields both a high CO faradaic efficiency (97 %) and a large current density (308 mA cm−2), alongside an outstanding stability (100 h).
Near total intrathoracic airway obstruction managed with a Tritube® and flow‐controlled ventilation
Authors: Mallam L. , Massingberd‐Mundy D. , Girgis M. , De Zoysa N. 
Published: March 2022

SummaryWe describe the management of a case of near total airway obstruction in a 79‐year‐old man who presented with a two‐week history of increasing shortness of breath and stridor. Computed tomography imaging revealed a mid‐tracheal mass of unknown aetiology with critical airway obstruction. We secured the patient’s airway using a Tritube® (Ventinova, Eindhoven, the Netherlands). While this facilitated a secure airway past the lesion, various issues were encountered which complicated the safe conduct of anaesthesia. We conclude that while the Tritube, used in conjunction with a proprietary flow‐controlled ventilation system (Evone®, Ventinova Eindhoven, the Netherlands) are useful for critical airway obstruction, they can be problematic and thorough planning is essential.
Evaluation of sensitive physical parameter combinations for determining the uncertainty of fire simulations and predictions in China
Authors: Sun Guodong 
Published: March 2022

AbstractFires are fundamental and natural phenomena that affect terrestrial ecosystems and the global climate change. However, uncertainties in fire modeling still exist. It is important to improve the ability to simulate fires by tuning model parameters. In this study, a sensitivity analysis (SA) approach based on the conditional nonlinear optimal perturbation related to parameters (CNOP‐P) is employed to find the most sensitive parameter subset. First, the maximum uncertainty in modeling fire is estimated, and it is found that the degrees of uncertainty in modeling fire are different in different regions of China. The extents of the uncertainties in modeling fire in northeastern China and northern China with arid and semiarid climate conditions are greatest, and the magnitude of the uncertainty in southern China is the smallest. The uncertainty in modeling fires in northern China with a semihumid climate condition is between the above values. Second, we find that the most sensitive parameter combination with the number of elements determined by the SA method based on the CNOP‐P approach are different from the top five parameters combination via a sensitivity test using a traditional method (such as the one‐at‐a‐time [OAT] method). The most sensitive parameter combination includes not only the parameters in the fire module (e.g., ) but also the parameters that could cause variations in biomass and soil moisture. The prediction skill of fire by reducing the errors of the sensitive parameter combination using the SA method based on the CNOP‐P method are higher than those using the OAT method. The above results suggest that not only the parameters in the fire module but also the parameters of other physical processes (e.g., biomass and soil moisture) should be corrected and calibrated to improve simulation and prediction of fire.
Social orienting and initiated joint attention behaviors in 9 to 12 month old children with autism spectrum disorder: A family home movies study
Authors: Palomo Rubén , Ozonoff Sally , Young Gregory S. , Belinchón Carmona Mercedes 
Published: March 2022

AbstractAccording to the Social Motivation model children with autism show deficits in social orienting (looking at faces and responding to name) at the end of their first year of life. In this model, those deficits are both the earliest behavioral consequences of an alteration in the dopamine reward system balance and the foundation of the social impairments that characterize this neurodevelopmental disorder. The current study tests two of the main predictions of this model: that social orienting deficits are the first behavioral manifestation of autism, and that they are developmentally related to joint attention deficits. We retrospectively analyzed family home movies of 9‐ to 12‐month‐old infants, 29 of whom were later diagnosed with autism and 16 of whom were typically developing. After confirming that the videotapes of both groups were similar in content of the scenes recorded (contexts, type of social activity, etc.), we compared their social orienting (social gaze and responding to name) and joint attention behaviors (gaze alternation and gestures). No significant differences between groups were found in looking at faces, but the group with autism showed deficits in responding to name and initiations of joint attention (IJA). Looking at people was not significantly correlated with IJA behaviors, but response to name was. The lack of group differences in looking at faces between 9 and 12 months, and the existence of IJA difficulties in the ASD group without concurrent impairment in looking at faces, do not support predictions of the Social Motivation model.Lay SummaryVarious theories have been proposed to explain the emergence of autism symptoms early in life. This study tested two key predictions of the Social Motivation model. Comparing family movies of children 9‐ to 12‐months‐old later diagnosed with autism or with typical development, we did not observe difficulties in looking at other people's faces but children with autism responded to name and used gaze and gestures to direct the adult's attention to events of interest less frequently. This absence of difficulties in looking at faces does not fit with what the Social Motivation model of autism predicts and therefore we must develop alternative explanations.
Developing a new treatment for superficial fungal infection using antifungal Collagen‐HSAF dressing
Authors: Zhong Jing , Yan Xiayi , Zuo Xin , Zhao Xuan , Yang Jiahui , Dou Qin , Peng Lulu , Zhu Yuxiang , Xiao Yichen , Bian Zeran , He Dalian , Xu Qiushuang , Wright Stephen , Li Yaoyao , Du Liangcheng , Wang Yan , Yuan Jin 
Published: March 2022

AbstractFungal pathogens are common causes of superficial clinical infection. Their increasing drug resistance gradually makes existing antifungal drugs ineffective. Heat stable antifungal factor (HSAF) is a novel antifungal natural product with a unique structure. However, the application of HSAF has been hampered by very low yield in the current microbial producers and from extremely poor solubility in water and common solvents. In this study, we developed an effective mode of treatment applying HSAF to superficial fungal infections. The marine‐derived Lysobacter enzymogenes YC36 contains the HSAF biosynthetic gene cluster, which we activated by the interspecific signaling molecule indole. An efficient extraction strategy was used to significantly improve the purity to 95.3%. Scanning electron microscopy images revealed that the Type I collagen‐based HSAF (Col‐HSAF) has a transparent appearance and good physical properties, and the in vitro sustained‐release effect of HSAF was maintained for more than 2 weeks. The effective therapeutic concentration of Col‐HSAF against superficial fungal infection was explored, and Col‐HSAF showed good biocompatibility, lower clinical scores, mild histological changes, and antifungal capabilities in animals with Aspergillus fumigatus keratitis and cutaneous candidiasis. In conclusion, Col‐HSAF is an antifungal reagent with significant clinical value in the treatment of superficial fungal infections.
The impact of tumor size on the survival of patients with small renal masses: A population–based study
Authors: Tang Yiming , Liu Fei , Mao Xiaopeng , Li Pengju , Mumin Mukhtar A. , Li Jiaying , Hou Yi , Song Hongde , Lin Haishan , Tan Lei , Gui Chengpeng , Zhang Mingxiao , Fu Liangmin , Chen Wei , Huang Yong , Luo Junhang 
Published: March 2022

AbstractBackgroundActive surveillance (AS) with delayed intervention has gained acceptance as a management strategy for small renal masses (SRMs). However, during AS, there is a risk of tumor growth. Thus, we aim to investigate whether tumor growth in patients with SRMs leads to tumor progress.MethodsIn this study, we enrolled 16,070 patients from the Surveillance, Epidemiology, and End Results database with T1a renal cell carcinoma (RCC) between 2004 and 2017. The 16,070 patients were divided into three groups: 10,526 in the partial nephrectomy (PN) group, 2768 in the local ablation (LA) group, and 2776 in the AS group. Associations of tumor size with all‐cause and cancer‐specific mortality were evaluated using Kaplan–Meier analyses and Cox regression models.ResultsFour tumor size categories were delineated (≤1, >1–2, >2–3, and > 3–4 cm in diameter), and 10‐year all‐cause and cancer‐specific mortality both significantly increased with increasing tumor size in the PN, LA, and AS groups (all p < 0.05). Tumors were substaged based on diameter: T1aA (≤2 cm) and T1aB (>2–4 cm). All‐cause and cancer‐specific mortality were significantly higher in T1aB tumors than T1aA tumors in each group (hazard ratio = 1.395 and 1.538, respectively; all p < 0.05).ConclusionsTumor growth relates to worse prognosis of T1a RCC, and 2 cm serves as a size threshold that is prognostically relevant for patients with T1a RCC. Because of the lack of accurate predictors of tumor growth rate, AS for patients with SRMs incurs a risk of tumor progression.
Twisting of the Ranger drug‐coated balloon for treating superficial femoral artery disease
Authors: Kim Su Hong , Choi Jong Hyun , Kim Bo Won , Kim Sang Hee 
Published: March 2022

AbstractPaclitaxel‐coated balloons have demonstrated improved efficacy compared with uncoated percutaneous transluminal angioplasty for femoropopliteal artery disease. While applying a long balloon, twisting of the balloon can be occurred. We reported two cases with twisting of the Ranger drug‐coated balloon for treating superficial femoral artery.
Rectus sheath hematoma secondary to acute exacerbation of COPD: A case report
Authors: Pant Prashant , Shrestha Oshan , Devkota Nebula , Budhathoki Pawan , Adhikari Sanjit , Shrestha Dhan Bahadur 
Published: March 2022

AbstractRectus sheath hematoma, a rare condition, develops due to rupture of epigastric arteries or the rectus abdominis muscle. This case report conveys that such condition can occur due to violent coughing spells, and this should not be missed when a patient with chronic obstructive pulmonary disease presents with abdominal pain.
Chlorodefluorination of Fluoromethanes and Fluoroolefins at a Lewis Acidic Aluminum Fluoride
Authors: Pan Xinzi , Talavera Maria , Scholz Gudrun , Braun Thomas 
Published: March 2022

AbstractChlorodefluorination reactions of fluoromethanes and fluoroolefins catalysed by the highly Lewis acidic nanoscopic aluminum chlorofluoride (ACF, AlClxF3−x, x≈0.05–0.3) in the presence of ClSiEt3 were studied. Both fluoromethanes and fluoroolefins convert under mild reaction conditions by fluorine‐chlorine exchange steps into chlorinated fluoro derivatives. MAS NMR studies provided information on the interaction of silanes and hexafluoropropene with the ACF surface.
Modelling textural and mass transfer properties for gamma‐alumina catalysts using randomly generated pore networks
Authors: Ferreira Sónia , Verstraete Jan J. , Jolimaitre Elsa , Leinekugel‐le‐Cocq Damien , Jallut Christian 
Published: March 2022

AbstractA Monte Carlo approach is used to generate 2D and 3D networks of randomly connected cylindrical pores with a variety of configurations. These networks are created to represent the gamma‐alumina supports of hydrotreating catalysts. Textural properties from generated pore networks are compared with experimental values of porosity, specific surface area, and specific pore volume. The experimental properties were estimated using a helium pycnometer and nitrogen sorption isotherms for five gamma‐alumina samples. Simulated and experimental textural properties concur. Internal diffusion is simulated by 1D Fick diffusion within each pore of the network. A macroscopic diffusion parameter for vacuum distillate type molecules, previously obtained by inverse liquid chromatography and by pulsed‐field gradient nuclear magnetic resonance experiments on alumina samples, is predicted and confronted with experimental values. Diffusional properties are in good agreement when considering two hierarchically organized porous domains.
Clinical advantage and outcomes of computed tomography‐based transvaginal hybrid brachytherapy performed only by sedation without general or saddle block anesthesia
Authors: Okonogi Noriyuki , Murata Kazutoshi , Matsui Toshiaki , Iwai Yuma , Mori Yasumasa , Kaneko Takashi , Wakatsuki Masaru , Tsuji Hiroshi 
Published: March 2022

AbstractBackgroundThree‐dimensional image‐guided brachytherapy is the standard of care in cervical cancer radiotherapy. In addition, the usefulness of the so‐called “hybrid brachytherapy (HBT)” has been reported, which involves the addition of needle applicators to conventional intracavitary brachytherapy for interstitial irradiation.AimTo evaluate the clinical outcomes of CT‐based HBT consisting of transvaginal insertion of needle applicators (CT‐based transvaginal HBT) and only intravenous sedation without general or saddle block anesthesia.Methods and resultsThis is a retrospective chart review of patients who received definitive radiotherapy, including CT‐based transvaginal HBT, between February 2012 and July 2019. The inclusion criteria were as follows: (i) histologically diagnosed disease, (ii) untreated cervical cancer, (iii) International Federation of Gynecology and Obstetrics (FIGO) stage IB1–IVA disease in the 2008 FIGO staging system, and (iv) patients who underwent CT‐based transvaginal HBT at least once in a series of intracavitary brachytherapy. Overall, 54 patients fulfilled the eligibility criteria in the present study. The median follow‐up period was 32 (IQR, 19–44) months. No patient complained of symptoms such as persistent bleeding or abdominal pain after the treatment. The 3‐year local control (LC), disease‐free survival, and overall survival rates for all 54 patients were 86.6%, 60.3%, and 90.7% (95% CI [81.3%–100.0%]), respectively. The 3‐year LC rate was 87.7% in patients with FIGO III–IVA and 90.4% in tumor size >6.0 cm. The incidence rate of late adverse events, grade ≥3, in the rectum and bladder was 0% and 1.8%, respectively. In the dose‐volume histogram analyses, transvaginal HBT increased the dose of HR‐CTVD90 by ~7.5% without significantly increasing the dose of organs at risk.ConclusionConsidering the favorable clinical outcomes, CT‐based transvaginal HBT may be a good option for treating cervical cancer.
Local Minimizers with Unbounded Vorticity for the 2D Ginzburg‐Landau Functional
Authors: Contreras Andres , Jerrard Robert L. 
Published: March 2022

AbstractA central focus of Ginzburg‐Landau theory is the understanding and characterization of vortex configurations. On a bounded domain global minimizers, and critical states in general, of the corresponding energy functional have been studied thoroughly in the limit where is the inverse of the Ginzburg‐Landau parameter. A notable open problem is whether there are solutions of the Ginzburg‐Landau equation for any number of vortices below for external fields of up to superheating field strength.In this paper, we prove that there are constants such that given natural numbers satisfying

local minimizers of the Ginzburg‐Landau functional with this many vortices exist, for fields such that Our strategy consists of combining: the minimization over a subset of configurations for which we can obtain a very precise localization of vortices; expansion of the energy in terms of a modified vortex interaction energy that allows for a reduction to a potential theory problem; and a quantitative vortex separation result for admissible configurations. Our results provide detailed information about the vorticity and refined asymptotics of the local minimizers that we construct. © 2021 Wiley Periodicals LLC.
Interface Shape under the Insulating Baffle in Vertical Bridgman Systems
Authors: Dropka Natasha , Ostrogorsky Aleksandar G. 
Published: March 2022

AbstractIn the vertical Bridgman (VB) configuration, the shape of the solid–liquid (s/l) interface controls the yield and quality of single crystals. The two key effects for growing CdTe in VB configuration with the baffle is are considered: i) the thermal conductivity of the baffle and 2) baffle/crystal rotation. The baffle has a dominating effect on heat transfer to the s/l interface. The low thermal conductivity baffle (λ = 0.3 W m‐K−1) shields the s/l interface from the hot zones of the furnace above the baffle, so that the furnace temperature has to be increased, thus enforcing convex interface. The insulating baffle is expected to be particularly useful for growth of low conductivity crystals such as CdTe or CZT because heat conduction through the crystal is slow.The flow driven by the rotating crystal (i.e., ampoule) makes the interface less convex. By rotating the crystal relative to the baffle, the undesirable, unsteady natural convection can be made negligible compared to forced convection, thus providing steady laminar flow at the s/l interface.