bluuebunny/crossref_metadata_2025 huggingface dataset:
Highly Reversible O2 Conversions by Coupling LiO2 Intermediate through a Dual‐Site Catalyst in Li‐O2 Batteries
Authors: Lin Xiaodong , Sun Zongqiang , Tang Chun , Hong Yuhao , Xu Pan , Cui Xueyang , Yuan Ruming , Zhou Zhiyou , Zheng Mingsen , Dong Quanfeng
Published: August 2020

The reduction of O2 to solid Li2O2 on discharge and the reverse oxidation of Li2O2 to O2 on recharge are the essential processes to determine the performance of Li‐O2 batteries. The discovery of effective catalysts with a favorable Li2O2 formation/decomposition mechanism is vital for the development of high‐performance Li‐O2 batteries. Here, a soluble catalyst of iodosylbenzene (PhIO) that can offer a highly reversible O2 conversion is reported for the first time. Benefiting from its ability to capture and couple the LiO2 intermediate, which is endowed by its polarized I3+O2− bond where the I atom and O atom can serve as a Lewis acidic site and basic site (dual site) to interact with O2− and Li+, respectively, the formation and decomposition of Li2O2 by a one‐electron pathway can be effectively promoted, thus greatly improving the electrode surface passivation issue and the reaction kinetics. In addition, the side reactions caused by the traditional high‐reactive LiO2 intermediate can also be effectively suppressed by forming a series of low‐reactive intermediates (LiO23PhIO, (LiO2)24PhIO, and Li2O24PhIO) instead. Consequently, the PhIO‐catalyzed Li–O2 batteries exhibit a low overpotential, a large capacity, and a good cyclability.
An ascites grading system for predicting the prognosis of gastric cancer with peritoneum dissemination
Authors: Honda Michitaka , Kawamura Hidetaka , Kobayashi Hiroshi , Takiguchi Koichi , Muto Atsushi , Yamazaki Shigeru , Teranishi Yasushi , Shiraso Satoru , Kono Koji , Hori Soshi , Kamiga Takahiro , Iwao Toshiyasu , Yamashita Naoyuki
Published: August 2020

Aim

Gastric cancer with peritoneum dissemination is intractable with surgical resection. The evaluation of the degree of dissemination using computed tomography (CT) is difficult. We focused on the amount of ascites based on CT findings and established a scaling system to predict these patients’ prognoses.

Methods

We extracted individual data from a population‐based cohort. Patients diagnosed with histologically proven gastric adenocarcinoma with peritoneum dissemination were enrolled. Two raters evaluated the CT images and determined the grade of ascites in each patient: grade 0 indicated no ascites in all slices; grade 1 indicated ascites detected only in the upper or lower abdominal cavity; grade 2 indicated ascites detected in both the upper and lower abdominal cavities; and grade 3 indicated ascites extending continuously from the pelvic cavity to the upper abdominal cavity. We evaluated the relationship between the ascites grade and survival time. After adjusting for other clinical factors, we calculated hazard ratios of each ascites grade.

Results

A total of 718 patients were enrolled. The number of patients with grades 0, 1, 2, and 3 were 303, 223, 94, and 98, respectively. The median overall survival times were 16.0, 8.7, 5.4, and 3.0 months for ascites on CT grades 0, 1, 2, and 3, respectively (P < .001). The adjusted hazard ratios for the survival time were 1.74 (1.33‐2.26, P < .001), 3.20 (2.25‐4.57, P < .001), and 4.76 (3.16‐7.17, P < .001) for grades 1, 2, and 3, respectively.

Conclusion

We established a new grading system of pretreatment ascites to better predict the prognosis of gastric cancer.
In silico screening and design strategies of ethane‐selective metal–organic frameworks for ethane/ethylene separation
Authors: Tang Hongjian , Jiang Jianwen
Published: August 2020

C2H6/C2H4 separation is one of the most crucial processes in the chemical industry and currently practiced by energy‐intensive distillation technology. As an alternative, adsorption‐based separation is considered as technically feasible and economically viable, and there has been considerable interest to develop advanced adsorbents for C2H6/C2H4 separation. In this study, we computationally screen a large set (12020) of metal–organic frameworks (MOFs) to identify top‐performing candidates for selective adsorption of C2H6 over C2H4. Quantitative relationships are established between the adsorption performance metrics (C2H6 working capacity and C2H6/C2H4 selectivity) and the structural descriptors (pore size, surface area, and porosity), as well as isosteric heat. We identify 16 top‐performing MOFs with C2H6/C2H4 selectivity ≥ 2.16 and C2H6 working capacity ≥ 0.54 mol/kg, which are superior to a benchmarked MOF (ZJU‐120a). It is revealed that pore geometry (both size and shape) are the key factors governing C2H6‐selective adsorption. From topological analysis, the most common topologies are found. Finally, six design strategies are proposed: regulating topology, catenating framework, adding aromatic ring, pillar‐layering framework, substituting metal node, and imposing flexibility. Each strategy is elaborated with examples for boosting separation performance. These strategies offer bottom‐up guidelines for the rational design of new MOFs towards high‐performance C2H6/C2H4 separation.
A survey of multiscale modeling: Foundations, historical milestones, current status, and future prospects
Authors: Radhakrishnan Ravi
Published: August 2020

Research problems in the domains of physical, engineering, biological sciences often span multiple time and length scales, owing to the complexity of information transfer underlying mechanisms. Multiscale modeling (MSM) and high‐performance computing (HPC) have emerged as indispensable tools for tackling such complex problems. We review the foundations, historical developments, and current paradigms in MSM. A paradigm shift in MSM implementations is being fueled by the rapid advances and emerging paradigms in HPC at the dawn of exascale computing. Moreover, amidst the explosion of data science, engineering, and medicine, machine learning (ML) integrated with MSM is poised to enhance the capabilities of standard MSM approaches significantly, particularly in the face of increasing problem complexity. The potential to blend MSM, HPC, and ML presents opportunities for unbound innovation and promises to represent the future of MSM and explainable ML that will likely define the fields in the 21st century.
Cannabis and work: Need for more research
Authors: Howard John , Osborne Jamie
Published: August 2020

Cannabis sativa is one of the oldest and most widely used plants in the world with a variety of industrial, medical, and nonmedical applications. Despite its long history, cannabis‐derived products remain a source of controversy across the fields of medicine, law, and occupational safety and health. More favorable public attitudes about cannabis in the US have resulted in greater access to cannabis through legalization by states, leading to more consumption by workers. As more states adopt cannabis access laws, and as more workers choose to consume cannabis products, the implications for existing workplace policies, programs, and practices become more salient. Past workplace practices were grounded in a time when cannabis consumption was always viewed as problematic, considered a moral failing, and was universally illegal. Shifting cultural views and the changing legal status of cannabis indicate a need for research into the implications and challenges relating to cannabis and work. This commentary suggests research needs in the following areas: (a) data about industries and occupations where cannabis consumption among workers is most prevalent; (b) adverse health consequences of cannabis consumption among workers; (c) workplace supported recovery programs; (d) hazards to workers in the emerging cannabis industry; (e) relationship between cannabis consumption and occupational injuries; (f) ways to assess performance deficits and impairment from cannabis consumption; (g) consumption of synthetic cannabinoids to evade detection by drug testing; (h) cannabis consumption and its effect on occupational driving; and (i) ways to craft workplace policies and practices that take into consideration conflicting state and federal laws pertaining to cannabis.
Neurological phenotype of Potocki–Lupski syndrome
Authors: Ciaccio Claudia , Pantaleoni Chiara , Milani Donatella , Alfei Enrico , Sciacca Francesca L. , Canafoglia Laura , Erbetta Alessandra , D'Arrigo Stefano
Published: August 2020

Potocki–Lupski syndrome is a condition mainly characterized by infantile hypotonia, developmental delay/intellectual disability (DD/ID), and congenital anomalies, caused by duplications of the 17p11.2 region, encompassing RAI1 gene. Its clinical presentation is extremely variable, especially for what concerns the cognitive level and the behavioral phenotype. Such aspects, as well as the dysmorphic/malformative ones, have been covered by previous studies; otherwise neurological features have never been systematically described. In order to delineate the neurological phenotype of Potocki–Lupski Syndrome, we collect an 8‐patients cohort. Developmental milestones are delayed and a mild to moderate cognitive impairment is present in all patients, variably associated with features of autism spectrum disorder, behavioral disturb, and sleep disturb. Hypotonia appears a less frequent finding than what previously reported, while motor clumsiness/coordination impairment is frequent. EGG registration demonstrated a common pattern with excess of diffuse rhythmic activity in sleep phases or while the patient is falling asleep. Brain MRI did not reveal common anomalies, although unspecific white matter changes may be present. We discuss such findings and compare them to literature data, offering an overview on the neurological and cognitive‐behavioral presentation of the syndrome.
3D facial morphometry in Italian patients affected by Aicardi syndrome
Authors: Masnada Silvia , Gibelli Daniele , Dolci Claudia , De Giorgis Valentina , Cappella Annalisa , Veggiotti Pierangelo , Sforza Chiarella ,   The Italian Aicardi Study Group
Published: August 2020

Aicardi syndrome (AIC) is a rare congenital neurodevelopmental disorder of unknown etiology, that affects almost exclusively females, originally characterized by corpus callosum agenesis, chorioretinal lacunae, and infantile spasms. The current diagnostic criteria also include qualitative facial features (prominent premaxilla, upturned nasal tip, decreased nasal bridge angle, sparse lateral eyebrows, and microphthalmia) that still need quantification. A three‐dimensional (3D) photogrammetric assessment of 11 Italian females, age 7–32 years, who satisfied AIC criteria, was performed. Linear distances and angles were computed from soft‐tissue facial landmarks coordinates. The z‐score values were calculated using data of 850 healthy reference females matched for age and compared by Mann–Whitney test (p < .01). Patients showed a shorter philtrum and right side orbital height (mean z‐scores: −1.7, −0.9), shorter superior, middle, and inferior facial depths (mean z‐scores: −1.3, −2.2, −2.3), and a smaller length of mandibular ramus (mean z‐score: −2.1); conversely, they showed larger nasal and lower facial widths, and lower facial convexity (mean z‐scores: 1.7, 1.4, 2.4). The inclinations of the orbit versus the true horizontal were increased bilaterally (mean z‐scores: 1.8, 1.1). Some common facial abnormalities were quantified in AIC patients using a noninvasive instrument. They may help clinicians in performing a definite AIC diagnosis in atypical or doubt cases.
Remote Blood Biomarkers of Longitudinal Cognitive Outcomes in a Population Study
Authors: Rajan Kumar B. , Aggarwal Neelum T. , McAninch Elizabeth A. , Weuve Jennifer , Barnes Lisa L. , Wilson Robert S. , DeCarli Charles , Evans Denis A.
Published: August 2020

Objective

The longitudinal association of the blood biomarkers total tau (t‐tau), neurofilament light (Nf‐L), and glial fibrillary acidic protein (GFAP) with common sporadic Alzheimer disease (AD) and cognitive decline is not established.

Methods

Using a single molecule array technology, ultrasensitive immunoassays for serum concentrations of t‐tau, Nf‐L, and GFAP were measured in a population sample of 1,327 participants (60% African Americans and women) who had a clinical evaluation for AD, had completed in‐home cognitive assessments, and had undergone 1.5T structural magnetic resonance imaging.

Results

Higher concentrations of serum biomarkers were associated with the development of clinical AD; especially, the time‐specific associations were notable: t‐tau 8 to 16 years, and Nf‐L and GFAP 4 to 8 years prior to clinical AD. Serum biomarkers were associated with faster cognitive decline over 16 years; baseline t‐tau > 0.40pg/ml had 30% faster decline, Nf‐L > 25.5pg/ml had 110% faster decline, and GFAP > 232pg/ml had 130% faster decline compared to those in the lowest quartile. Participants with baseline GFAP > 232pg/ml showed 160% faster decline in hippocampal volume compared to those with values < 160pg/ml. Additionally, higher baseline t‐tau was associated with faster increase in 3rd ventricular volume, and baseline Nf‐L and GFAP were associated with faster decline in cortical thickness.

Interpretation

Serum t‐tau, Nf‐L, and GFAP predict the development of sporadic AD and cognitive decline, and changes in structural brain characteristics, suggesting their usefulness not only as screening and predictive biomarkers, but also in capturing the pathogenesis of Alzheimer dementia. ANN NEUROL 2020;88:1065–1076
Fluorescence Quenching Effects of Tetrazines and Their Diels–Alder Products: Mechanistic Insight Toward Fluorogenic Efficiency
Authors: Pinto‐Pacheco Brismar , Carbery William P. , Khan Sameer , Turner Daniel B. , Buccella Daniela
Published: August 2020

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

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

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

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

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

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

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

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

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

Objective

The aim of this study is to describe 4 of the most common autoantibodies against components of the Th/To complex: human POP1 (hPOP1), RPP25, RPP30, and RPP40. We report their prevalence and clinical characteristics in a systemic sclerosis (SSc) population, and determine whether these specificities are associated with cancer.

Methods

A case–control study was performed using data from the Johns Hopkins Scleroderma Center Cohort. A total of 804 adult patients with SSc were included; 401 SSc patients with no history of cancer after at least 5 years of disease were compared to 403 SSc patients who ever had a history of cancer. Antibodies against hPOP1, RPP25, RPP30, and RPP40 were assayed by immunoprecipitation of 35S‐methionine–labeled proteins generated by in vitro transcription/translation. Demographic and clinical characteristics were compared between groups.

Results

Of 804 patients, 67 (8.3%) had antibodies against any component of the Th/To complex. Patients with antibodies to any component were significantly more likely to have limited cutaneous disease, less likely to have tendon friction rubs, and more likely to have findings consistent with interstitial lung disease or pulmonary hypertension. Patients with antibodies against hPOP1, RPP25, RPP30, and/or RPP40 were significantly less likely to develop cancer within 2 years of SSc onset (0% versus 11% of antibody‐negative patients; P = 0.009).

Conclusion

SSc patients who produce autoantibodies to components of the Th/To complex have a clinical phenotype characterized by limited cutaneous disease and pulmonary involvement. Our findings show that the presence of any Th/To autoantibody may have a protective effect against contemporaneous cancer.
Pretreatment of rice straw with recycled ionic liquids by phase‐separation process for low‐cost biorefinery
Authors: Wei Hao‐Lin , Wang Yu‐Tao , Hong Ying‐Ying , Zhu Ming‐Jun
Published: August 2020

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

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

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

Background

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

Methods

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

Results

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

Conclusion

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

Introduction

Posttraumatic scarring of peripheral nerves produces unwanted adhesions that block axonal growth. In the context of surgical nerve repair, the organization of the scar tissue adjacent to conduits used to span the gap between the stumps of transected nerves is poorly understood. The goal of this study was to elucidate the patterns of distribution of collagen‐rich scar tissue and analyze the spatial organization of cells that produce fibrotic deposits around and within the conduit's lumen.

Methods

Employing a rabbit model of sciatic nerve transection injury, we studied the formation of collagen‐rich scar tissue both inside and outside conduits used to bridge the injury sites. Utilizing quantitative immunohistology and Fourier‐transform infrared spectroscopy methods, we measured cellular and structural elements present in the extraneural and the intraneural scar of the proximal and distal nerve fragments.

Results

Analysis of cells producing collagen‐rich deposits revealed that alpha‐smooth muscle actin‐positive myofibroblasts were only present in the margins of the stumps. In contrast, heat shock protein 47‐positive fibroblasts actively producing collagenous proteins were abundant within the entire scar tissue. The most prominent site of transected sciatic nerves with the highest number of cells actively producing collagen‐rich scar was the proximal stump.

Conclusion

Our findings suggest the proximal region of the injury site plays a prominent role in pro‐fibrotic processes associated with the formation of collagen‐rich deposits. Moreover, they show that the role of canonical myofibroblasts in peripheral nerve regeneration is limited to wound contracture and that a distinct population of fibroblastic cells produce the collagenous proteins that form scar tissue. As scarring after nerve injury remains a clinical problem with poor outcomes due to incomplete nerve recovery, further elucidation of the cellular and spatial aspects of neural fibrosis will lead to more targeted treatments in the clinical setting.
US‐guided vascular access and left ventricular rapid pacing in TAVR: Two simple points that may improve patients' outcomes
Authors: Musumeci Giuseppe , Albani Stefano
Published: August 2020

Key Points

The use of US‐guided vascular access and left ventricular rapid pacing could significantly reduce TAVR‐related complications.

This study suggests simple tricks to keep the procedure safer.

Further multicenter studies are needed to confirm the present data.
Minimalist transfemoral transcatheter aortic valve replacement: Make it as simple as possible, but not simpler
Authors: Tarantini Giuseppe , Fabris Tommaso
Published: August 2020

Key Points

Transfemoral (TF) transcatheter aortic valve replacement (TAVR) has evolved dramatically. Improvements in technique, devices, operator's experience, and patient selection have resulted in markedly lower rates of procedural complications, thus allowing further technical simplification at every step of the procedure.

Implementing a minimalist approach for TF TAVR (including transradial secondary access, angio‐guidewire‐ultrasound guidance for femoral puncture, and left ventricle guidewire pacing) may improve outcomes and reduce complications without compromising patient safety in contemporary clinical practice.

Although this simplified approach is applicable for most patients undergoing TF TAVR, careful patient selection remains of paramount importance.
What about a larger closure device?
Authors: Cilingiroglu Mehmet , Kilic Ismail
Published: August 2020

Key Points

There is an exponential growth in the numbers of procedures requiring large‐bore access.

InSeal vascular closure device (VCD) is a novel device that seals the puncture with a biodegradable membrane, which is supported by a self‐expanding nitinol frame.

The current study suggests that the InSeal VCD is safe and effective in achieving hemostasis after transcatheter aortic valve replacement.
A preprocedural risk score predicts acute kidney injury following primary percutaneous coronary intervention
Authors: Buratti Stefano , Crimi Gabriele , Somaschini Alberto , Cornara Stefano , Camporotondo Rita , Cosentino Nicola , Moltrasio Marco , Rubino Mara , De Metrio Monica , Marana Ivana , De Servi Stefano , Marenzi Giancarlo , De Ferrari Gaetano M.
Published: August 2020

Background

Reliable preprocedural risk scores for the prediction of Contrast‐Induced Acute Kidney Injury (CI‐AKI) following Percutaneous Coronary Intervention (pPCI) in patients with ST‐elevation myocardial infarction (STEMI) are lacking. Aim of this study was to derive and validate a preprocedural Risk Score in this setting.

Methods

Two prospectively enrolled patient cohorts were used for derivation and validation (n = 3,736). CI‐AKI was defined as creatinine increase ≥0.5 mg/dl <72 h postpPCI. Odds ratios from multivariable logistic regression model were converted to an integer, whose sum represented the Risk Score.

Results

Independent CI‐AKI predictors were: diabetes, Killip class II‐III (2 points each), age > 75 years, anterior MI (3 points), Killip class IV (4 points), estimated GFR < 60 ml/min/1.73m2 (5 points). The Risk Score c‐statistic was 0.84 in both cohorts. Compared with patients with Risk Score ≤ 4, the relative risks of CI‐AKI among patients scoring 5–9 were 6.2 (derivation cohort) and 7.1 (validation cohort); among patients scoring ≥10, 19.8, and 21.4, respectively.

Conclusions

Among STEMI patients, a simple preprocedural Risk Score accurately and reproducibly predicted the risk of CI‐AKI, identifying ¼ of patients with a seven‐fold risk and 1/10 of patients with a 20‐fold risk. This knowledge may help tailored strategies, including delaying revascularization of nonculprit vessels in patients at high risk of CI‐AKI.
Reduction of phenolic profiles, dietary fiber, and antioxidant activities of rice after treatment with different milling processes
Authors: Ma Zhan‐Qian , Yi Cui‐Ping , Wu Na‐Na , Tan Bin
Published: August 2020

Background and objectives

Milling, polishing, and color selection are the basic unit operation steps during rice processing, which may remove much amounts of nutritional components, such as phenolics and dietary fiber. And for a long time, rice is often overprocessed which results in a serious loss of nutrients. However, the reduction of the nutritional components during rice milling process has not been evaluated. The aim of this study was to investigate the effect of different milling processes during industrial rice processing on the free and bound phenolic content, composition, dietary fiber, and antioxidant activity (DPPH, ABTS, T‐AOC) of two kinds of rice (Dao Huaxiang and Jiangxi Indica).

Findings

As the milling degree increased, the loss percentages of total phenolics, flavonoids, and anthocyanins of Dao Huaxiang rice were 52.8%–76.4%, 43.3%–72.9%, and 100.0%, respectively; it was similar for the reduction percentages of total phenolics, flavonoids, and anthocyanins for Jiangxi Indica rice, which were 56.5%–77.4%, 58.7%–87.7%, and 87.5%–100%, respectively; the amounts of total dietary fiber were also decreased from 5.87 to 2.03 g/100 g DW for the Dao Huaxiang rice and from 5.14 to 2.84 g/100 g DW for Jiangxi Indica rice, respectively. Correspondingly, the content of individual phenolic, flavonoid, and anthocyanin compositions in both rice varieties decreased with the increase in milling degree during the rice processing. Antioxidant activities of T‐AOC, DPPH, and ABTS showed a same trend with phenolic profiles for the two rice varieties.

Conclusions

The phenolic profiles, dietary fiber, and antioxidant activities for Dao Huaxiang and Jiangxi Indica rice decreased significantly with milling degree increase during rice processing. Therefore, it is recommended that the milling and polishing degree should be reduced during rice grain processing, in order to achieve the purpose of not only satisfying the edible quality of rice but also retaining the nutritional characteristics as much as possible.

Significance and novelty

The rice samples in this study were from the actual industrial production industry, and the Dao Huaxiang rice and Jiangxi Indica rice were from northeast China and south China, respectively, which were representative and could provide specific and practical data for reducing milling degree in rice industry and reducing the removal of bran layer. These findings indicate that the milling degree should be reduced or controlled for retention of nutrients and acceptable sensory quality in rice.
Effect of polishing duration on physical, milling, cooking, and sensory properties of a novel mix‐colored Nigerian parboiled rice
Authors: Ojediran John Olusegun , Okonkwo Clinton Emeka , Olayanju Tajudeen Adeniyi , Hussain Syed Zameer , Olaniran Abiola Folakemi , Adewumi Adejoke Deborah
Published: August 2020

Background and objectives

Polishing is a step of milling process to produce white rice. It influences rice quality. This study evaluates the effect of increased polishing duration (0, 1, 2, and 3 min) on the physical, milling, cooking, and sensory properties of novel mix‐colored Nigerian rice. These quality parameters influence the consumers’ choice.

Findings

Polishing duration had a significant effect on the physical, milling, cooking, and sensory properties of the milled rice. As the polishing duration increased, the length, width, length/width ratio, 1,000‐grain weight, bulk density, true density, porosity, optimum cooking time, cooking loss, aroma, and flavor of the milled rice reduced, while increased polishing duration increased the head rice yield, percentage broken rice, milled rice yield, percentage dockage, kernel elongation ratio, width expansion ratio, water uptake ratio, texture, appearance, and overall acceptability of the milled rice. The correlations between physical, milling, cooking, and sensory properties were strongly significant (p ˂ .01 and p ˂ 0.05).

Conclusions

This study revealed that increasing the polishing duration improves the cooking, head rice yield, milled rice yield, and some sensory quality attributes of the mix‐colored parboiled rice, but reduced its physical attributes.

Significance and novelty

The mix‐colored rice showed an improved milling, cooking, and sensory attributes but poor physical characteristics during polishing which is very vital to rice milling industry.
Systemic ALK‐positive anaplastic large cell lymphoma with bilateral optic neurolymphomatosis resulting in permanent blindness
Authors: Seegobin Karan , Alhaj Moustafa Muhamad , Fischer Deborah , Keller Katelyn , Hastings Jacquelyn , Kharfan‐Dabaja Mohamed A. , Ayala Ernesto , Gupta Vivek , Tun Han W. , Jiang Liuyan
Published: August 2020

ALK‐positive ALCL can lead to rapid irreversible destruction of the optic pathway. Early treatment should be instituted in patients with CNS involvement or those at increased CNS risk.
Palladium‐Catalyzed Desulfurative Amide Formation from Thioureas and Arylboronic Acids
Authors: Su Jianke , Li Wendong , Li Xin , Xu Jian , Song Qiuling
Published: August 2020

The development of the reactivity on carbene complexes would lead to the creation of novel synthetic strategies. We discovered herein the Pd‐catalyzed desulfurative amide formation involved Suzuki‐Miyaura coupling reaction, notably the Pd complex was generated in situ from thioureas, Ag salt and Pd catalyst. Silver salt was essential for the construction of this type of carbenes from available and stable thioureas and well participated in the catalytic cycle. We report a method for the synthesis of arylamides from arylboronic acids, which greatly enriched the application of thiourea chemistry and expanded the application of the Suzuki‐Miyaura coupling.
Controlling Regioselectivity in Palladium‐Catalyzed C−H Activation/Aryl–Aryl Coupling of 4‐Phenylamino[2.2]paracyclophane
Authors: Zippel Christoph , Spuling Eduard , Hassan Zahid , Polamo Mika , Nieger Martin , Bräse Stefan
Published: August 2020

Selective activation/functionalization of C−H bonds has emerged as an atom‐ and step‐economical process at the forefront of modern synthetic chemistry. This work reports palladium‐catalyzed exclusively para‐selective C−H activation/aryl–aryl bond formation with a preference over N‐arylation under the Buchwald–Hartwig amination reaction of 4‐phenylamino[2.2]paracyclophane. This innovative synthetic strategy allows a facile preparation of [2.2]paracyclophane derivatives featuring disparate para‐substitutions at C‐4 and C‐7 positions in a highly selective manner, gives access to a series of potential candidates for [2.2]paracyclophane‐derived new planar chiral ligands. The unprecedented behavior in reactivity and preferential selectivity of C−C coupling over C−N bond formation via C−H activation is unique to the [2.2]paracyclophane scaffold compared to the non‐cyclophane analogue under the same reaction conditions. Selective C−H activation/aryl–aryl bond formation and sequential C−N coupling product formation is evidenced unambiguously by X‐ray crystallography.
Enantioseparation of mandelic acid on vancomycin column: Experimental and docking study
Authors: Shahnani Mostafa , Sefidbakht Yahya , Maghari Shokoofeh , Mehdi Ahmad , Rezadoost Hassan , Ghassempour Alireza
Published: August 2020

So far, no detailed view has been expressed regarding the interactions between vancomycin and racemic compounds including mandelic acid. In the current study, a chiral stationary phase was prepared by using 3‐aminopropyltriethoxysilane and succinic anhydride to graft carboxylated silica microspheres and subsequently by activating the carboxylic acid group for vancomycin immobilization. Characterization by elemental analysis, Fourier transform infrared spectroscopy, solid‐state nuclear magnetic resonance, and thermogravimetric analysis demonstrated effective functionalization of the silica surface. R and S enantiomers of mandelic acid were separated by the synthetic vancomycin column. Finally, the interaction between vancomycin and R/S mandelic acid enantiomers was simulated by Auto‐dock Vina. The binding energies of interactions between R and S enantiomers and vancomycin chiral stationary phase were different. In the most probable interaction, the difference in mandelic acid binding energy was approximately 0.2 kcal/mol. In addition, circular dichroism spectra of vancomycin interacting with R and S enantiomers showed different patterns. Therefore, R and S mandelic acid enantiomers may occupy various binding pockets and interact with different vancomycin functions. These observations emphasized the different retention of R and S mandelic acid enantiomers in vancomycin chiral column.