bluuebunny/crossref_metadata_2025 huggingface dataset:
Enantioselective Synthesis of α‐Aryl‐β2‐Amino‐Esters by Cooperative Isothiourea and Brønsted Acid Catalysis
Authors: Zhao Feng , Shu Chang , Young Claire M. , Carpenter‐Warren Cameron , Slawin Alexandra M. Z. , Smith Andrew D.
Published: March 2021

The synthesis of α‐aryl‐β2‐amino esters through enantioselective aminomethylation of an arylacetic acid ester in high yields and enantioselectivity via cooperative isothiourea and Brønsted acid catalysis is demonstrated. The scope and limitations of this process are explored (25 examples, up to 94 % yield and 96:4 er), with applications to the synthesis of (S)‐Venlafaxine⋅HCl and (S)‐Nakinadine B. Mechanistic studies are consistent with a C(1)‐ammonium enolate pathway being followed rather than an alternative dynamic kinetic resolution process. Control studies indicate that (i) a linear effect between catalyst and product er is observed; (ii) an acyl ammonium ion can be used as a precatalyst; (iii) reversible isothiourea addition to an in situ generated iminium ion leads to an off‐cycle intermediate that can be used as a productive precatalyst.
Antibiotic‐loaded wound dressings obtained from the PBAT‐gentamicin combination
Authors: Scheibel Jóice Maria , Menezes Felipe Castro , Reginatto Camila Leites , de Brito da Silva Cláudia , Moura Dinara Jaqueline , Rodembusch Fabiano , Bussamara Roberta , Weibel Daniel Eduardo , Soares Rosane Michele Duarte
Published: March 2021

The development of biodegradable curative systems containing antibacterial drug are fundamental for the promotion of therapeutic actions, reducing the infections caused by microorganisms and being able to substitute conventional dressings which are not biodegradable polymers in their composition. Meeting those needs, poly (butylene adipate‐co‐terephthalate) (PBAT) and PBAT/gentamicin (GT) fibers were electrospun using different concentrations of GT. The physical–chemical, morphological, thermal, antibacterial, and biological properties of the PBAT and PBAT/GT fibers were characterized. The presence of GT modified the mean diameter, roughness, and wettability of the prepared fibers. The degree of swelling was altered with the addition of GT. PBAT/GT fibers showed antibacterial activity against Escherichia coli strains reaching an inhibitory activity above 90% in the films with 2%, 5%, and 10% of GT. In addition, the fibers did not present cytotoxicity according to ISO 10993‐5 standard. The obtained results reinforce that PBAT can be used as a curative system.
Efficient Ni‐based catalysts for low‐temperature reverse water‐gas shift (RWGS) reaction
Authors: Deng Lidan , Ai Xin , Xie Fengqiong , Zhou Guilin
Published: March 2021

CO2 hydrogenation for syngas can alleviate the pressure of un‐controlled emissions of CO2 and bring enormous economic benefits. Advantageous Ni‐catalysts have good CO2 hydrogenation activity and high CO selectivity merely over 700 °C. Herein, we introduced Cu into Ni catalysts, which were evaluated by H2‐TPR, XRD, BET, in‐situ XPS and CO2‐TPD, and their CO2 hydrogenation activity and CO selectivity were significantly affected by the Ni/Cu ratios, which was rationalized by the synergistic effect of bimetallic catalysts. In addition, the reduction temperatures of studied catalysts apparently affected the CO2 hydrogenation, which were caused by the number and dispersion of the active species. It's found that the Ni1Cu1‐400 had good stability, high CO selectivity (up to 90%), and fast formation rate (1.81×10−5 mol/gcat/s) at 400 °C, which demonstrated a good potential as a superior catalyst for reverse water‐gas shift (RWGS) reaction.
Recent Progress and Application Challenges of Wearable Supercapacitors
Authors: Ren Ming , Di Jiangtao , Chen Wei
Published: March 2021

The rapid development of wearable electronics has accelerated the development of wearable energy storage devices. Wearable supercapacitors have aroused widely interest due to their large power density. However, there are still many challenges in the practical application of wearable supercapacitors. This paper summarizes the structure, working mechanism, materials and key parameters of wearable supercapacitors. And we reviewed the challenges of wearable supercapacitors in practical applications, namely safety, mechanical adaptability, self‐charging capability, environmental tolerance, and multifunction. Finally, these challenges are summarized and prospected. We hope to inspire some work to solve the practical application challenges of wearable supercapacitors.
Harnessing Multiple, Nonproteogenic Substitutions to Optimize CSP:ComD Hydrophobic Interactions in Group 1 Streptococcus pneumoniae
Authors: Milly Tahmina A. , Engler Emilee R. , Chichura Kylie S. , Buttner Alec R. , Koirala Bimal , Tal‐Gan Yftah , Bertucci Michael A.
Published: March 2021

Streptococcus pneumoniae (pneumococcus) is a human pathobiont that causes drastic antibiotic‐resistant infections and is responsible for millions of deaths universally. Pneumococcus pathogenicity relies on the competence‐stimulating peptide (CSP)‐mediated quorum‐sensing (QS) pathway that controls competence development for genetic transformation and, consequently, the spread of antibiotic resistance and virulence genes. Modulation of QS in S. pneumoniae can therefore be used to enervate pneumococcal infectivity as well as minimize the susceptibility to resistance development. In this work, we sought to optimize the interaction of CSP1 with its cognate transmembrane histidine kinase receptor (ComD1) through substitution of proteogenic and nonproteogenic amino acids on the hydrophobic binding face of CSP1. The findings from this study not only provided additional structure–activity data that are significant in optimizing CSP1 potency, but also led to the development of potent QS modulators. These CSP‐based QS modulators could be used as privileged scaffolds for the development of antimicrobial agents against pneumococcal infections.
Reversible Addition of Carbon Dioxide to Main Group Metal Complexes at Temperatures about 0 °C
Authors: Koptseva Tatyana S. , Sokolov Vladimir G. , Ketkov Sergey Yu. , Rychagova Elena A. , Cherkasov Anton V. , Skatova Alexandra A. , Fedushkin Igor L.
Published: March 2021

The reaction of dialane [LAl‐AlL] (1; L=dianion of 1,2‐bis[(2,6‐diisopropylphenyl)imino]acenaphthene, dpp‐bian) with carbon dioxide results in two different products depending on solvent. In toluene at temperatures of about 0 °C, the reaction gives cycloadduct [L(CO2)Al‐Al(O2C)L] (2), whereas in diethyl ether, the reaction affords oxo‐bridged carbamato derivative [L(CO2)(Et2O)Al(μ‐O)AlL] (3). The DFT and QTAIM calculations provide reasonable explanations for the reversible formation of complex 2 in the course of two subsequent (2+4) cycloaddition reactions. Consecutive transition states with low activation barriers were revealed. Also, the DFT study demonstrated a crucial effect of diethyl ether coordination to aluminium on the reaction of dialane 1 with CO2. The optimized structures of key intermediates were obtained for the reactions in the presence of Et2O; calculated thermodynamic parameters unambiguously testify the irreversible formation of the product 3.
Metal‐Organic Framework Materials for Light Hydrocarbon Separation
Authors: Fu Mingyue , Wang Yutong , Wang Xiaokang , Sun Daofeng
Published: March 2021

In practical industrial applications, the separation of light hydrocarbon mixtures is a very important technology. In recent years, some progress has been made in metal‐organic framework materials for light hydrocarbon separation, but further research is still needed. This Minireivew presents a systematic discussion on the latest developments and separation mechanisms of metal‐organic framework materials for C2 and C3 mixtures, discusses the problems faced by metal‐organic framework materials in the study of light hydrocarbon adsorption and separation, and provides a reference for the design, preparation and process development of low‐carbon hydrocarbon adsorption and separation materials in the future.
Exploring the Electronic Properties of Extended Benzofuran‐Cyanovinyl Derivatives Obtained from Lignocellulosic and Carbohydrate Platforms Raw Materials
Authors: Ibrahim Nagham , Moussallem Chady , Allain Magali , Segut Olivier , Gohier Frédéric , Frère Pierre
Published: March 2021

Two series of linear extended benzofuran derivatives associating cyanovinyl unit and phenyl or furan moieties obtained from benzaldehyde‐lignocellulosic (Be series) or furaldehyde –saccharide (Fu series) platforms were prepared in order to investigate their emission and electrochemical properties. For the fluorescence in solution and solid states, contrasting results between the two series were demonstrated. For Be series a net aggregation induced emission effect was observed with high fluorescence quantum yield for the solid state. A [2+2] cycloaddition under irradiation at 350 nm was also revealed for one derivative of Be series. In contrast, for Fu series the fluorescence in solution is higher than in the solid state. The X‐ray crystallography studies for the compounds reveal the formation of strong π‐π stacking for the derivatives without emissive property in the solid state and the presence of essentially lateral contacts for emissive compounds. Taking advantage of the propensity to develop 2D π‐stacking mode for the more extended derivative with a central furan cycle, organic field effect transistors presenting hole mobility have been made.
A Self‐Conditioned Metalloporphyrin as a Highly Stable Cathode for Fast Rechargeable Magnesium Batteries
Authors: Abouzari‐Lotf Ebrahim , Azmi Raheleh , Li Zhenyou , Shakouri Shirin , Chen Zhi , Zhao‐Karger Zhirong , Klyatskaya Svetlana , Maibach Julia , Ruben Mario , Fichtner Maximilian
Published: March 2021

Development of practical rechargeable Mg batteries (RMBs) is impeded by their limited cycle life and rate performance of cathodes. As demonstrated herein, a copper‐porphyrin with meso‐functionalized ethynyl groups is capable of reversible two‐ and four‐electron storage at an extremely fast rate (tested up to 53 C). The reversible four‐electron redox process with cationic‐anionic contributions resulted in a specific discharge capacity of 155 mAh g−1 at the high current density of 1000 mA g−1. Even at 4000 mA g−1, it still delivered >70 mAh g−1 after 500 cycles, corresponding to an energy density of >92 Wh kg−1 at a high power of >5100 W kg−1. The ability to provide such high‐rate performance and long‐life opens the way to the development of practical cathodes for multivalent metal batteries.
Comparative study of oncologic efficacy of cephalomedial to lateral dissection versus medial to lateral dissection in laparoscopic total mesorectal excision for rectal cancer: An RCT study
Authors: Hong Hi‐Ju , Zhao Xuan , Yu Chao‐Ran , Sun Jing , Dong Feng , Zang Lu , Lu Ai‐Guo , Feng Bo , Wang Ming‐Liang , Yu Min‐Hao , Qiu Zheng‐Jun , Qian Bi‐Yun , Xie Li , Fingerhut Abe , Zheng Min‐Hua , Ma Jun‐Jun , Zhong Min
Published: March 2021

Background and Objectives

We compared the 3‐year overall survival between cephalomedial‐to‐lateral approach proctectomy (CEMP) and medial‐to‐lateral approach proctectomy (MAP) in patients undergoing laparoscopic total mesorectal excision for rectal cancer. The advantages of CEMP and the clinical value of No. 253 lymph nodes resection have not been objectively analyzed in literature.

Methods

This was a prospective, two‐arm, multicenter, single‐blinded, randomized trial. The primary endpoint was 3‐year overall survival, and secondary endpoints included safety, feasibility, oncological radicality (including number of No. 253 lymph nodes harvested), short‐term outcome, 3‐year disease‐free survival, rate of postoperative complications, mortality, and rate of recurrence.

Results

From May 2016 to July 2020, 506 patients were enrolled—256 in the CEMP group and 250 in the MAP group. Comparison of overall survival and disease‐free survival showed that there was treatment benefit in the CEMP group (28.22 ± 12.12 vs. 27.44 ± 13.06, p = 0.485; 27.24 ± 12.01 vs. 26.42 ± 12.81; p = 0.457). More No. 253 lymph nodes were harvested in the CEMP group, and cases with positive No. 253 lymph nodes had worse prognosis in stage III. Surgical safety was equal for both approaches.

Conclusions

Dissection of No. 253 lymph nodes may be important to improve clinical prognosis, but further studies with larger samples are needed to confirm this finding.
On a weighted trace embedding and applications to critical boundary problems†
Authors: Ferreira L. C. F. , Furtado M. F. , Medeiros E. S. , da Silva J. P. P.
Published: March 2021

We prove a weighted Sobolev trace embedding in the upper half‐space and give its best constant. This embedding can be employed to study a number of critical boundary problems. In this direction, we obtain existence and nonexistence results for a class of semilinear elliptic equations with nonlinear boundary conditions involving critical growth. These equations are closely related to the study of self‐similar solutions for nonlinear reaction‐diffusion equations.
Sleep disorders in children with asthma
Authors: Reiter Joel , Ramagopal Maya , Gileles‐Hillel Alex , Forno Erick
Published: March 2021

Asthma and sleep disorders are both common in childhood, and often co‐exist in the same child. Moreover, studies have shown that in many children the rate of one is influenced by the other. Sleep disorders can be classified into six different groups—insomnia, hypersomnia, parasomnia, movement disorders, circadian disorders, and sleep‐related breathing disorders. Children with asthma often present with complaints of insomnia with poor sleep quality, difficulty falling asleep and sleep disruptions. These complains are often associated with asthma control. They may also complain of daytime sleepiness and have higher rates of parasomnias, such as night terrors and nocturnal enuresis when compared with their healthy peers. Whether movement and circadian disorders are also more prevalent in children with asthma is less clear. Finally, there is a complex bidirectional interaction between sleep‐related breathing disorders and asthma: poor sleep and sleep disorders may worsen asthma, and asthma, particularly when it is poorly controlled, may impair sleep.

In the current review we examine the association of each of the sleep disorders with asthma and review the common pathophysiological pathways. We hope to convince the reader that appropriate management of asthma must include inquiries into the patient's sleep, and vice versa.
Thermo‐Kinetic Investigation of the Preparation of Micronized Ammonium Perchlorate Particles by Using Rapid Cooling Crystallization Method
Authors: Zinab Javad Mohebbi , Hosseini Seyed Ghorban , Tavangar Saeed , Bahri Mohammad Mahdi
Published: March 2021

Production of micronized ammonium perchlorate particles (AP) (<25 μm) has a great importance in the composite solid propellant industry. In the present study, an attempt was made to consider thermo‐kinetic preparation of AP particles by using simple McCabe model in a cooling crystallization system. For this reason, an experimental design based on temperature, pressure, time, and concentration was used. Temperature in the range of 323–343 K, pressure in the range of 3
–18
 Pa, and concentration in the range of 0.4–0.5 g/mL were set for the experiments. The time parameter was variable regarding to the temperature and concentration of each experiment and it was measured to evaluate the rate of process. The crystal size as an experiment response was estimated using image analysis of produced samples by MIP software in micrometer scale. Finally, a growth rate equation was established considering the results obtained from temperature variations, pressure, concentration, and time. Decrease in temperature variations caused to increase in crystallization rate and crystal size. The pressure above 7.5
 Pa resulted in producing crystals smaller than 40 μm. The lowest crystal size was observed in the concentration of 0.45–0.5 g/mL and the crystallization time below 8 s. In addition, the results obtained from presented equation and experiment were matched with McCabe model.
Unexpected Coordination Modes of Bisphosphoramides with Lanthanum(III) and Thorium(IV) Salts: Synthesis, Structural Characterization, Stability, and Extraction Studies
Authors: Goud E. Veerashekhar , Vijai Anand A. S. , Pallepogu Raghavaiah , Brahmmananda Rao C. V. S. , Nagarajan Sivaraman , Sivaramakrishna Akella
Published: March 2021

A series of bisphosphoramides of the type R2P(O)NHCH2CH2NHP(O)R2 (L) (where R=n‐butyl, n‐hexyl, n‐octyl, ethoxy, phenyl) is synthesized in two‐steps by Atherton‐Todd reaction of ethylenediamine and H‐phosphonate derived from the reaction of diethylphosphite and the Grignard reagent. These ligands were employed in the preparation of La(III) and Th(IV)complexes of the general type [LaCl3(L)2]n and [Th(NO3)4Th(IV)2]. Notably, La(III) complexes of bisphosphoramides are found as infinite coordination polymers with bridging phosphine oxide ligands in an intermolecular fashion. In contrast, Th(IV) complexes are formed with two chelating bisphosphoramide ligands around the metal center intramolecularly. All these ligands and the corresponding metal complexes are characterized by spectroscopic and analytical data. The single‐crystal X‐ray analyses of lanthanum and thorium complexes each confirm the coordination modes. Further, these ligands were evaluated to check the extraction behavior with Am(III), U(VI), Th(IV), and Pu(IV) as a function of nitric acid concentration.
COVID‐19 into Chemical Science Perspective: Chemical Preventive Measures and Drug Development
Authors: Adhikari Bimalendu , Sahu Nihar
Published: March 2021

COVID‐19 facts and literature are discussed into chemical science intuition highlighting the direct role of chemistry to the ongoing global pandemic by covering structural identification of the virus, chemical preventive measures and development of drugs. We reviewed the four most promising repurposed drugs which are presently being investigated in mass clinical trials on COVID‐19 infected persons and synthetic routes of these drugs with their recent advancement. Chemical preventive measures such as soap water, hand sanitizer and disinfectant are the only available options in the arsenal to fight against COVID‐19, till an effective medicine or vaccine will be made available. As such the present review will focus on the mode of action of the major chemical preventives.
Visible Light Driven VO2/g‐C3N4 Z‐Scheme Composite Photocatalysts for Selective Oxidation of DL‐1‐Phenylethyl Alcohol under Vis‐LEDs Irradiation and Aerobic Oxidation
Authors: Ma Xiuqiang , Huo Xiangyu , Hao Kun , Song Liang , Yu Qing , Liu Tong , Wang Zhongwei
Published: March 2021

A novel VO2/g‐C3N4 Z‐Scheme type heterostructure composite photocatalyst was fabricated by the ultrasonic‐assisted method. The newly synthesized photocatalyst has been systematically and comprehensively characterized and analyzed. Through the selective oxidation of DL‐1‐Phenylethyl alcohol under Vis‐LED irradiation and aerobic oxidation, the photocatalytic performance of VO2/g‐C3N4 photocatalyst was investigated. The results showed that the prepared VO2/g‐C3N4 nanocomposites exhibited excellent photocatalytic oxidation performance. Among them, the highest turnover frequency (TOF) was 0.42 mmol (DL‐1‐Phenylethyl alcohol)⋅mmol−1 (catalyst)⋅h−1, which was 5 times higher than the TOF of the original g‐C3N4. The effects of different wavelengths of LED monochromatic light, the composite ratio of VO2 and g‐C3N4, the reaction time, and the different benzyl alcohol substrates were studied. Also, catalyst life test was completed. Furthermore, a persuasive mechanism of photocatalytic selective oxidation of DL‐1‐Phenylethyl alcohol on VO2/g‐C3N4 photocatalyst was proposed through EPR and radical trapping experiments.
Assembly of SBA‐15 Derived Hybrid Heterogeneous Catalysts for Liquid Phase Cyclopentene Epoxidation
Authors: Niu Qingtao , Liu Guodong , Lv Zhiguo , Si Chongdian , Jin Manman
Published: March 2021

Three two‐dimensional SBA‐15‐based hybrid materials, SBA‐15‐ImCl‐PF6, SBA‐15‐NH(PO3H2), and SBA‐15‐N+, were synthesized employing a post‐synthetic functionalization strategy, and peroxo‐W and PW species were successfully immobilized on the surface of the corresponding organic moieties‐modified SBA‐15 via electrostatic interaction or covalent linking. The TEM and XRD results presented that the structure and morphology of SBA‐15 were maintained after multiple transformations. The final catalysts SBA‐15‐ImCl‐PF6‐W, SBA‐15‐NH(PO3H2)‐W, and SBA‐15‐N+(PW4O24)3− all showed considerable activity for the epoxidation of cyclopentene to cyclopentene oxide using H2O2 as the oxygen source without any co‐solvent. It was noteworthy that SBA‐15‐ImCl‐PF6‐W catalyst with increased hydrophobicity via altering counteranions of imisazolium ions exhibited excellent cyclopentene oxide selectivity (99 %), but a good cycle performance (10 times) was achieved via SBA‐15‐NH(PO3H2)‐W owing robust covalent bonds. Besides, the use of a low dose of heterogeneous catalyst (W=20 μmol) and a green oxidant of H2O2, along with the absence of co‐solvent or other additives make cyclopentene epoxidation reaction an environmenttally benign chemical process.
Hydrogen Spillover Facilitating Reduction of Surface Oxygen Species on Porous Carbon
Authors: Zheng Zhuangzhuang , Chen Mingming , Zheng Xuewen , Liu Kunlin , Yang Ting , Zhang Jizong
Published: March 2021

Surface oxygen‐containing functional groups of porous carbon have great influence on its various properties, including the catalytic performance, chemical stability, and adsorption capacity. In this paper, a catalytic hydrogen spillover method was proposed to prepare porous carbons with low oxygen content in 7 vol % H2/Ar atmosphere. Pt/C was used as the catalyst. Petroleum coke‐based porous carbon was adopted as the model material to study hydrogen spillover reduction effect within the temperature range of 500–700 °C. XRD, Raman and XPS were used to characterize the microstructures and surface chemical composition of prepared materials. Compared with H2 reduction, hydrogen spillover reduction can further increase graphitic degree of porous carbon without destroying the morphology and pore structure, and can reduce the contents of surface oxygen‐containing groups of porous carbon more effectively. And among different kinds of oxygen‐containing groups, the more reactive hydrogen atoms dissociated by Pt/C catalyst have the best reduction effect on C−O species.
T‐shaped uterus: stepping up the ladder of evidence
Authors: Carugno J. , Laganà A. S. , Haimovich S. , Pacheco L. Alonso , Sardo A. Di Spiezio
Published: March 2021

Linked article: This Correspondence comments on Coelho Neto et al. Click here to view the article.
Posterior compartment symptoms in primiparous women 1 year after non-assisted vaginal deliveries: a Swedish cohort study
Authors: Rotstein Emilia , Åhlund Susanne , Lindgren Helena , Lindén Hirschberg Angelica , Rådestad Ingela , Tegerstedt Gunilla
Published: March 2021

Introduction and hypothesis

This is a prospective cohort follow-up study based on the hypothesis that primiparous women with non-assisted vaginal deliveries and a second-degree perineal tear have more posterior compartment symptoms 1 year after delivery than those with no or first-degree tears.

Methods

A follow-up questionnaire, including validated questions on pelvic floor dysfunction, was completed 1 year postpartum by 410 healthy primiparas, delivered without instrumental assistance at two maternity wards in Stockholm between 2013 and 2015. Main outcome measures were posterior compartment symptoms in women with second-degree perineal tears compared with women with no or only minor tears.

Results

Of 410 women, 20.9% had no or only minor tears, 75.4% had a second-degree tear, and 3.7% had a more severe tear. Of women presenting with second-degree tears, 18.9% had bowel-emptying difficulties compared with 20.0% of women with minor tears. Furthermore, almost 3% of them with second-degree tears complained of faecal incontinence (FI) of formed stool, 7.2% of FI of loose stool compared with 1.2% and 3.5% respectively in women with no or only minor tears.

Conclusions

Symptomatic pelvic floor dysfunction is common among primiparous women within 1 year following uncomplicated vaginal delivery, and there are no significant differences between second-degree perineal tears and minor tears. These symptoms should be addressed in all women after delivery to improve pelvic floor dysfunction and quality of life.
On the Cycle Augmentation Problem: Hardness and Approximation Algorithms
Authors: Gálvez Waldo , Grandoni Fabrizio , Jabal Ameli Afrouz , Sornat Krzysztof
Published: March 2021

In the k-Connectivity Augmentation Problem we are given a k-edge-connected graph and a set of additional edges called links. Our goal is to find a set of links of minimum size whose addition to the graph makes it (k + 1)-edge-connected. There is an approximation preserving reduction from the mentioned problem to the case k = 1 (a.k.a. the Tree Augmentation Problem or TAP) or k = 2 (a.k.a. the Cactus Augmentation Problem or CacAP). While several better-than-2 approximation algorithms are known for TAP, for CacAP only recently this barrier was breached (hence for k-Connectivity Augmentation in general). As a first step towards better approximation algorithms for CacAP, we consider the special case where the input cactus consists of a single cycle, the Cycle Augmentation Problem (CycAP). This apparently simple special case retains part of the hardness of the general case. In particular, we are able to show that it is APX-hard. In this paper we present a combinatorial $\left (\frac {3}{2}+\varepsilon \right )$

3

2

+
ε

-approximation for CycAP, for any constant ε > 0. We also present an LP formulation with a matching integrality gap: this might be useful to address the general case of the problem.
Predictive value of De Ritis ratio in metastatic renal cell carcinoma treated with tyrosine-kinase inhibitors
Authors: Janisch Florian , Klotzbücher Thomas , Marks Phillip , Kienapfel Christina , Meyer Christian P. , Yu Hang , Fühner Constantin , Hillemacher Tobias , Mori Keiichiro , Mostafei Hadi , Shariat Shahrokh F. , Fisch Margit , Dahlem Roland , Rink Michael
Published: March 2021

Background

Predictive markers can help tailor treatment to the individual in metastatic renal cell carcinoma (mRCC). De Ritis ratio (DRR) is associated with oncologic outcomes in various solid tumors.

Objective

To assess the value of DRR in prognosticating survival in mRCC patients treated with tyrosine-kinase inhibitors (TKI).

Methods

Overall, 220 mRCC patients treated with TKI first-line therapy were analyzed. An optimal cut-off point for DRR was determined with Youden’s J. We used multiple strata for DRR, performed descriptive, Kaplan–Meier and multivariable Cox-regression analyses to assess associations of DRR with progression-free (PFS) and overall survival (OS).

Results

Patients above the optimal cut-off point for DRR of ≥ 1.58 had fewer liver metastases (p = 0.01). There was no difference in PFS (p > 0.05) between DRR groups. DRR above the median of 1.08 (HR 1.42;p = 0.03), DRR ≥ 1.1(HR 1.44;p = 0.02), ≥ 1.8 (HR 1.56;p = 0.03), ≥ 1.9 (HR 1.59;p = 0.02) and ≥ 2.0 (HR 1.63;p = 0.047) were associated with worse OS. These associations did not remain after multivariable adjustment. In the intermediate MSKCC group, DRR was associated with inferior OS at cut-offs ≥ 1.0 (HR 1.78;p = 0.02), ≥ 1.1 (HR 1.81;p = 0.01) and above median (HR 1.88;p = 0.007) in multivariable analyses. In patients with clear-cell histology, DRR above median (HR 1.54;p = 0.029) and DRR ≥ 1.1 (HR 1.53;p = 0.029) were associated with OS in multivariable analyses.

Conclusion

There was no independent association between DRR and survival of mRCC patients treated with TKI in the entire cohort. However, OS of patients with intermediate risk and clear-cell histology were affected by DRR. DRR could be used for tailored decision-making in these subgroups.
A novel prediction model for the completion of six cycles of radium-223 treatment and survival in patients with metastatic castration-resistant prostate cancer
Authors: Miyoshi Yasuhide , Tsutsumi Sohgo , Yasui Masato , Kawahara Takashi , Uemura Ko-ichi , Hayashi Naruhiko , Nozawa Masahiro , Yoshimura Kazuhiro , Uemura Hiroji , Uemura Hirotsugu
Published: March 2021

Purpose

We evaluated the predictive factors for completion of all six cycles of radium-223 (Ra-223) treatment in patients with metastatic castration-resistant prostate cancer (mCRPC). We also developed a novel prediction model for Ra-223 treatment completion using these predictors.

Methods

We retrospectively reviewed data from 122 patients with mCRPC who were treated with Ra-223. The predictive factors for the completion of six cycles of Ra-223 treatment were evaluated. Statistically significant predictive factors were then used to develop a prediction model for treatment completion. Finally, using this prediction model, we classified the overall survival (OS) of the entire cohort into three groups.

Results

We identified three significant variables as the predictive factors for treatment completion: baseline alkaline phosphatase (ALP) level, baseline hemoglobin (Hb) level, and baseline pain. The three groups generated using the prediction model were: group 1 (patients with three predictive factors, i.e., ALP < median, Hb ≥ median, and no pain), group 2 (patients with one to two predictive factors), and group 3 (patients without any predictive factors). The treatment completion rates differed between the three groups significantly. Furthermore, the OS also differed among the groups significantly.

Conclusion

Our study suggested that the baseline ALP level, baseline Hb level, and baseline pain were the predictive factors of completion of all six cycles of Ra-223 treatment in patients with mCRPC. Our prediction model consisting of these factors could predict not only the completion of Ra-223 treatment, but also the post-treatment survival. This model can thus be useful for selection of patients for Ra-223 treatment.
Flow measurements in the wake of an adhering and oscillating droplet using laser-Doppler velocity profile sensor
Authors: Burgmann Sebastian , Dues Michael , Barwari Beawer , Steinbock Jonas , Büttner Lars , Czarske Jürgen , Janoske Uwe
Published: March 2021

The removal of droplets on surfaces by an (air-) flow is relevant, e.g., for cleaning processes or to prevent corrosion or damage of electronic devices. Still the condition for droplet movement is not fully understood. Droplets start to move downstream at a critical (air-) flow velocity vcrit. For increasing flow velocity, this process is related to a strong oscillation of the droplet. This oscillation is supposed to be a key mechanism for the onset of droplet movement in conjunction with the flow field around the droplet. We report on measurements in the wake of the adhering droplet by means of laser-Doppler velocity profile sensor and hot wire anemometry. Thanks to the excellent spatial and temporal resolution of laser-Doppler velocity profile sensor and its capability to measure bidirectional flows, a backflow region can be detected in the wake of the droplet. Therefore, it can be concluded that this backflow structure is the driving mechanism for the strong flow movement inside the droplet against channel flow direction found in previous work. Analyzing the frequency spectra of the flow velocity, it was found that the flow is also oscillating; frequency peaks are in the same range as for the contour oscillation. Based on frequency, diameter and flow velocity, a Strouhal number can be calculated. This Strouhal number is almost constant in the investigated regime of droplet volumes and is between 0.015 and 0.03. Therefore, it can be assumed that an aeroelastic self-excitation effect may be present that eventually leads to droplet movement.

Graphic abstract
High subsonic flow of an organic vapor past a circular cylinder
Authors: Reinker Felix , Wagner Robert , Hake Leander , der Wiesche Stefan aus
Published: March 2021

A circular cylinder was tested in the cross-flow of an organic vapor (Novec™ 649) and of air over the subsonic (M < 0.4) and high subsonic (0.4 < M < 0.8) speed range in a continuously running pressurized closed-loop wind tunnel test facility. Time-averaged pressure measurements gave information on surface pressure distributions, and the corresponding drag and base pressure drag coefficients were obtained. Due to the charging of the wind tunnel, different values of the compressibility factor (0.876 < Z < 0.999) could be achieved for the organic vapor flow. This enabled in combination with the results for air an assessment of the impact of non-ideal gas dynamics on the form drag of a cylinder in the considered highly subsonic flow regime. The new experimental data were compared with available literature results. Changes in surface pressure distribution at higher subsonic velocities were identified and discussed. It was found that non-ideal gas effects did not strongly affect the overall drag. The variation of drag coefficient over the Mach number range was comparable with literature data for ideal-gas compressible flow, including shock-less and intermittent shock wave, and permanent shock wave flows regimes. At Mach 0.4, the flow of Novec™ 649 was in the shock-less regime and exhibited a pronounced dependency on the Reynolds number. An increase in drag was observed at Mach 0.6 which was attributed to the commencement of vortex shedding. Non-ideal thermodynamics only affected the flow locally and a reduction of the critical pressure coefficient in the high subsonic flow regime was observed in the surface pressure distribution. However, this mechanism did not alter significantly the overall drag behavior.

Graphic abstract

Drag coefficientCDagainst Re for several Mach numbersMand comparison with available literature results obtained for air (colored symbols indicate different Mach number clusters)
Intratumoral heterogeneity of surrogate molecular subtypes in urothelial carcinoma in situ of the urinary bladder: implications for prognostic stratification of high-risk non-muscle-invasive bladder cancer
Authors: Garczyk Stefan , Bischoff Felix , Schneider Ursula , Golz Reinhard , von Rundstedt Friedrich-Carl , Knüchel Ruth , Degener Stephan
Published: March 2021

Reliable factors predicting the disease course of non-muscle-invasive bladder cancer (NMIBC) with carcinoma in situ (CIS) are unavailable. Molecular subtypes have potential for prognostic stratification of muscle-invasive bladder cancer, while their value for CIS patients is unknown. Here, the prognostic impact of both clinico-pathological parameters, including CIS focality, and immunohistochemistry-based surrogate subtypes was analyzed in a cohort of high-risk NMIBC patients with CIS. In 128 high-risk NMIBC patients with CIS, luminal (KRT20, GATA3, ERBB2) and basal (KRT5/6, KRT14) surrogate markers as well as p53 were analyzed in 213–231 biopsies. To study inter-lesional heterogeneity of CIS, marker expression in independent CIS biopsies from different bladder localizations was analyzed. Clinico-pathological parameters and surrogate subtypes were correlated with recurrence-free (RFS), progression-free (PFS), cancer-specific (CSS), and overall survival (OS). Forty-six and 30% of CIS patients exhibited a luminal-like (KRT20-positive, KRT5/6-negative) and a null phenotype (KRT20-negative, KRT5/6-negative), respectively. A basal-like subtype (KRT20-negative, KRT5/6-positive) was not observed. A significant degree of inter-lesional CIS heterogeneity was noted, reflected by 23% of patients showing a mixed subtype. Neither CIS surrogate subtype nor CIS focality was associated with patient outcome. Patient age and smoking status were the only potentially independent prognostic factors predicting RFS, PFS, OS, and PFS, respectively. In conclusion, further clarification of heterogeneity of surrogate subtypes in HR NMIBC and their prognostic value is of importance with regard to potential implementation of molecular subtyping into clinical routine. The potential prognostic usefulness of patient age and smoking status for high-risk NMIBC patients with CIS needs further validation.
Finding and Counting Permutations via CSPs
Authors: Berendsohn Benjamin Aram , Kozma László , Marx Dániel
Published: March 2021

Permutation patterns and pattern avoidance have been intensively studied in combinatorics and computer science, going back at least to the seminal work of Knuth on stack-sorting (1968). Perhaps the most natural algorithmic question in this area is deciding whether a given permutation of lengthncontains a given pattern of lengthk. In this work we give two new algorithms for this well-studied problem, one whose running time is$$n^{k/4 + o(k)}$$nk/4+o(k), and a polynomial-space algorithm whose running time is the better of$$O(1.6181^n)$$O(1.6181n)and$$O(n^{k/2 + 1})$$O(nk/2+1). These results improve the earlier best bounds of$$n^{0.47k + o(k)}$$n0.47k+o(k)and$$O(1.79^n)$$O(1.79n)due to Ahal and Rabinovich (2000) resp. Bruner and Lackner (2012) and are the fastest algorithms for the problem when$$k \in \varOmega (\log {n})$$k∈Ω(logn). We show that both our new algorithms and the previous exponential-time algorithms in the literature can be viewed through the unifying lens ofconstraint-satisfaction. Our algorithms can alsocount, within the same running time, the number of occurrences of a pattern. We show that this result is close to optimal: solving the counting problem in time$$f(k) \cdot n^{o(k/\log {k})}$$f(k)·no(k/logk)would contradict theexponential-time hypothesis(ETH). For some special classes of patterns we obtain improved running times. We further prove that 3-increasing(4321-avoiding) and 3-decreasing(1234-avoiding) permutations can, in some sense,embedarbitrary permutations of almost linear length, which indicates that a sub-exponential running time is unlikely with the current techniques, even for patterns from these restricted classes.
A projected super-penalty method for the $$C^1$$-coupling of multi-patch isogeometric Kirchhoff plates
Authors: Coradello Luca , Loli Gabriele , Buffa Annalisa
Published: March 2021

This work focuses on the development of a super-penalty strategy based on the $$L^2$$

L
2

-projection of suitable coupling terms to achieve $$C^1$$

C
1

-continuity between non-conforming multi-patch isogeometric Kirchhoff plates. In particular, the choice of penalty parameters is driven by the underlying perturbed saddle point problem from which the Lagrange multipliers are eliminated and is performed to guarantee the optimal accuracy of the method. Moreover, by construction, the method does not suffer from boundary locking, especially on very coarse meshes. We demonstrate the applicability of the proposed coupling algorithm to Kirchhoff plates by studying several benchmark examples discretized by non-conforming meshes. In all cases, we recover the optimal rates of convergence achievable by B-splines where we achieve a substantial gain in accuracy per degree-of-freedom compared to other choices of the penalty parameters.
Vectorizing posit operations on RISC-V for faster deep neural networks: experiments and comparison with ARM SVE
Authors: Cococcioni Marco , Rossi Federico , Ruffaldi Emanuele , Saponara Sergio
Published: March 2021

With the arrival of the open-source RISC-V processor architecture, there is the chance to rethink Deep Neural Networks (DNNs) and information representation and processing. In this work, we will exploit the following ideas: i) reduce the number of bits needed to represent the weights of the DNNs using our recent findings and implementation of the posit number system, ii) exploit RISC-V vectorization as much as possible to speed up the format encoding/decoding, the evaluation of activations functions (using only arithmetic and logic operations, exploiting approximated formulas) and the computation of core DNNs matrix-vector operations. The comparison with the well-established architecture ARM Scalable Vector Extension is natural and challenging due to its closedness and mature nature. The results show how it is possible to vectorize posit operations on RISC-V, gaining a substantial speed-up on all the operations involved. Furthermore, the experimental outcomes highlight how the new architecture can catch up, in terms of performance, with the more mature ARM architecture. Towards this end, the present study is important because it anticipates the results that we expect to achieve when we will have an open RISC-V hardware co-processor capable to operate natively with posits.
Families in the COVID-19 pandemic: parental stress, parent mental health and the occurrence of adverse childhood experiences—results of a representative survey in Germany
Authors: Calvano Claudia , Engelke Lara , Di Bella Jessica , Kindermann Jana , Renneberg Babette , Winter Sibylle M.
Published: March 2021

Parenting during the COVID-19 pandemic is highly challenging, with parents having to meet various demands simultaneously. An increase in adverse childhood experiences (ACEs) has been widely predicted, but empirical evidence is still scarce. This study aimed to (1) generate representative data on pandemic-related stress, parental stress, general stress, parental subjective and mental health, and the occurrence of ACEs; (2) identify risk factors for an increase in ACEs, and (3) provide qualitative data on parents’ experiences. A representative survey was conducted in Germany in August 2020 with 1024 parents of underage children (Mage = 41.70, 50.9% female). More than 50% of parents reported being stressed by social distancing and the closure of schools and childcare facilities. Parental stress increased significantly during the pandemic (d = 0.21). Subgroups of parents also reported very high levels of depressive symptoms (12.3%) and anxiety (9.7%). Up to one-third of the sample reported ACEs in the child’s lifetime. In this group, 29.1% reported an increase in children witnessing domestic violence during the pandemic, and 42.2% an increase verbal emotional abuse. These families were characterized by higher parental stress, job losses, and younger parent and child age. Positive aspects of the pandemic related primarily to personal or family life (e.g. slower pace of life, increase in family time). While some parents coped well, a particularly negative pattern was observed in a subgroup of families that experienced an increase in ACEs. Parental stress emerged as important target point for interventions addressing the negative sequelae of the pandemic.
Supramolecular associations between atypical oxidative phosphorylation complexes of Euglena gracilis
Authors: Miranda-Astudillo H. V. , Yadav K. N. S. , Boekema E. J. , Cardol P.
Published: March 2021

In vivo associations of respiratory complexes forming higher supramolecular structures are generally accepted nowadays. Supercomplexes (SC) built by complexes I, III and IV and the so-called respirasome (I/III2/IV) have been described in mitochondria from several model organisms (yeasts, mammals and green plants), but information is scarce in other lineages. Here we studied the supramolecular associations between the complexes I, III, IV and V from the secondary photosynthetic flagellate Euglena gracilis with an approach that involves the extraction with several mild detergents followed by native electrophoresis. Despite the presence of atypical subunit composition and additional structural domains described in Euglena complexes I, IV and V, canonical associations into III2/IV, III2/IV2 SCs and I/III2/IV respirasome were observed together with two oligomeric forms of the ATP synthase (V2 and V4). Among them, III2/IV SC could be observed by electron microscopy. The respirasome was further purified by two-step liquid chromatography and showed in-vitro oxygen consumption independent of the addition of external cytochrome c.
Self-reported causes of cancer among 6881 survivors with 6 tumour types: results from the PROFILES registry
Authors: Vlooswijk Carla , Husson Olga , Oerlemans Simone , Ezendam Nicole , Schoormans Dounya , de Rooij Belle , Mols Floortje
Published: March 2021

Objective

Our aim was to describe and compare self-reported causal attributions (interpretations of what caused an illness) among cancer survivors and to assess which sociodemographic and clinical characteristics are associated with them.

Methods

Data from five population-based PROFILES registry samples (i.e. lymphoma (n = 993), multiple myeloma (n = 156), colorectal (n = 3989), thyroid (n = 306), endometrial (n = 741), prostate cancer (n = 696)) were used. Causal attributions were assessed with a single question.

Results

The five most often reported causal attributions combined were unknown (21%), lifestyle (19%), biological (16%), other (14%), and stress (12%). Lymphoma (49%), multiple myeloma (64%), thyroid (55%), and prostate (64%) cancer patients mentioned fixed causes far more often than modifiable or modifiable/fixed. Colorectal (33%, 34%, and 33%) and endometrial (38%, 32%, and 30%) cancer survivors mentioned causes that were fixed, modifiable, or both almost equally often. Colorectal, endometrial, and prostate cancer survivors reported internal causes most often, whereas multiple myeloma survivors more often reported external causes, while lymphoma and thyroid cancer survivors had almost similar rates of internal and external causes. Females, those older, those treated with hormonal therapy, and those diagnosed with prostate cancer were less likely to identify modifiable causes while those diagnosed with stage 2, singles, with ≥2 comorbid conditions, and those with endometrial cancer were more likely to identify modifiable causes.

Conclusion

In conclusion, this study showed that patients report both internal and external causes of their illness and both fixed and modifiable causes. This differsbetween the various cancer types.

Implications for Cancer Survivors

Although the exact cause of cancer in individual patients is often unknown, having a well-informed perception of the modifiable causes of one’s cancer is valuable since it can possibly help survivors with making behavioural adjustments in cases where this is necessary or possible.
Migraine-like headaches associated with nickel allergy requiring removal of atrial septal defect closure device
Authors: Sadasivan Nair Prasanth , Jaya Joseph Swaminadan , Comella Andrea , Smith Julian Anderson , Harper Richard , Joshi Prashant Prakash
Published: March 2021

There is a deficit of literature regarding the association between nickel allergy–induced symptoms and implanted devices. This report describes a case of nickel allergy causing debilitating migraine-like symptoms, failing to resolve with medical therapy, requiring surgical removal of the device and repair of the defect.