bluuebunny/crossref_metadata_2025_split huggingface dataset:
Covalent Organic Frameworks with Tailored Functionalities for Modulating Surface Potentials in Triboelectric Nanogenerators
Authors: Lin Chao , Sun Linhai , Meng Xutong , Yuan Xin , Cui Cheng‐Xing , Qiao Huijie , Chen Pengjing , Cui Siwen , Zhai Lipeng , Mi Liwei 
Published: September 2022

AbstractDesigning materials with high triboelectric is an efficient way of improving output performance of triboelectric nanogenerators (TENGs). Herein, we synthesized a series of covalent organic frameworks (COFs) with similar skeletons but various functional groups ranging between electron‐donating and electron‐withdrawing. These COFs form an ideal platform for clarifying the contribution of each group to TENG performance because the pore wall is perturbed in a predesigned manner. Kelvin probe force microscopy and computational data suggest that surface potentials and electron affinities of COFs can be improved by introducing electron‐donating or withdrawing groups, with the highest values observed for fluorinated COF. The TENG with fluorinated COF delivered an output voltage and current of 420 V and 64 μA, respectively, which are comparable to other reported materials. This strategy can be used to efficiently screen suitable frameworks as TENG materials with excellent output performance.
Two Radical SAM Enzymes Are Necessary and Sufficient for the In Vitro Production of the Oxetane Nucleoside Antiviral Agent Albucidin
Authors: Fan Po‐Hsun , Geng Yujie , Romo Anthony J. , Zhong Aoshu , Zhang Jiawei , Yeh Yu‐Cheng , Lee Yu‐Hsuan , Liu Hung‐wen 
Published: September 2022

AbstractOxetanocin A and albucidin are two oxetane natural products. While the biosynthesis of oxetanocin A has been described, less is known about albucidin. In this work, the albucidin biosynthetic gene cluster is identified in Streptomyces. Heterologous expression in a nonproducing strain demonstrates that the genes alsA and alsB are necessary and sufficient for albucidin biosynthesis confirming a previous study (Myronovskyi et al. Microorganisms 2020, 8, 237). A two‐step construction of albucidin 4′‐phosphate from 2′‐deoxyadenosine monophosphate (2′‐dAMP) is shown to be catalyzed in vitro by the cobalamin dependent radical S‐adenosyl‐l‐methionine (SAM) enzyme AlsB, which catalyzes a ring contraction, and the radical SAM enzyme AlsA, which catalyzes elimination of a one‐carbon fragment. Isotope labelling studies show that AlsB catalysis begins with stereospecific H‐atom transfer of the C2′‐pro‐R hydrogen from 2′‐dAMP to 5′‐deoxyadenosine, and that the eliminated one‐carbon fragment originates from C3′ of 2′‐dAMP.
Anatomy education beyond the Covid‐19 pandemic: A changing pedagogy
Authors: Xiao Junhua , Evans Darrell J. R. 
Published: September 2022

AbstractThe coronavirus disease 2019 (Covid‐19) pandemic has induced multifaceted changes in anatomical education. There has been a significant increase in the employment of digital technologies coupled with the upskilling of educators' capacity and altered attitudes toward the digitalization process. While challenges remain, learners have demonstrated capabilities to adapt to digital delivery, engagement and assessment. With alternative and innovative teaching and learning strategies having been trialed and implemented for almost two years, the key question now is what the pedagogy will be for anatomy education beyond the pandemic. Here we discuss some of the changes in anatomy education that have taken place as a result of the Covid‐19 pandemic and importantly present some outlooks for evidence‐based anatomy pedagogy as the world enters the post‐pandemic phase and beyond. The authors conclude that the anatomy discipline is ready to further modernize and has the opportunity to use digital technologies to evolve and enhance anatomy education to ensure students are provided with the learning experience which will prepare them best for the future.
What does it mean for an autism intervention to be evidence‐based?
Authors: Vivanti Giacomo 
Published: September 2022

AbstractAlthough there is consensus in the field that individuals on the autism spectrum should receive interventions that are evidence‐based, the concept of “evidence‐based” is multifaceted and subject to ongoing development and debate. In this commentary, we review historical developments, methodological approaches, as well as areas of controversies and research directions in the establishment of an evidence base for autism intervention.Lay SummaryWhat does it mean for an autism intervention to be evidence‐based? In this commentary, we address this complex issue by examining historical developments, methodological approaches, as well as areas of ongoing debate in the establishment of evidence‐based interventions for autism.
Assessment of indigenous fungal biocatalysts towards valorization of delignified physico‐chemically pretreated corn cobs and sugarcane bagasse
Authors: Rastogi Meenal , Shrivastava Smriti 
Published: September 2022

AbstractThe conversion of plant‐based lignocellulosic materials into alternative fuels entails various pretreatment strategies (chemical, physico‐chemical or enzymatic) to boost the release of sugar constituents from biomass. This investigation reports the influence of different pretreatment techniques such as acid, alkali and steam treatment followed by enzymatic hydrolysis in single and (or) consolidated system, for releasing fermentable reducing sugars from sugarcane bagasse (SB) and corn cobs (CC) (major agricultural residues). Alkaline pretreatment facilitated maximal lignin removal, 83.2 and 69.4% from CC and SB, respectively, thereby expediting enzymatic hydrolysis by in‐house xylanases produced from indigenously isolated Aspergillus tubingensis strains, AUMS60 (Xyn60) and AUMS64 (Xyn64A, B). The major operating conditions for enzymatic treatment of raw and pretreated residues were set at a substrate loading of 2% (w/v), an enzyme loading of 100–500 U g−1 substrate and incubation at 40°C, 140 rpm for 72 h. Treatment with Xyn60 and Xyn64A, B resulted in 81.4% (72 h) and 75.9% (24 h) saccharification of delignified SB and CC, respectively. Scanning electron micrographs and Fourier transform infrared spectra corroborated structural deformations induced by physico‐chemical pretreatment processes, thereby validating the maximal enzymatic hydrolysis of delignified substrates. The analysis of enzyme hydrolysis products suggested higher saccharification of hemicellulosic fraction as compared with cellulose. The observations of the present study signify that the thermotolerant in‐house enzymes show great potential in the saccharification of lignocelluloses within a short span of time and may open a new vista for biomass valorization in the bioenergy sector. © 2022 Society of Chemical Industry and John Wiley & Sons, Ltd.
Pregnancy and infant outcomes by trimester of SARS‐CoV‐2 infection in pregnancy–SET‐NET, 22 jurisdictions, January 25, 2020–December 31, 2020
Authors: Neelam Varsha , Reeves Emily L. , Woodworth Kate R. , O'Malley Olsen Emily , Reynolds Megan R. , Rende Joy , Wingate Heather , Manning Susan E. , Romitti Paul , Ojo Kristen D. , Silcox Kristin , Barton Jerusha , Mobley Evan , Longcore Nicole D. , Sokale Ayomide , Lush Mamie , Delgado‐Lopez Camille , Diedhiou Abdoulaye , Mbotha Deborah , Simon Wanda , Reynolds Bethany , Hamdan Tahani S. , Beauregard Suzann , Ellis Esther M. , Seo Jennifer Y. , Bennett Amanda , Ellington Sascha , Hall Aron J. , Azziz‐Baumgartner Eduardo , Tong Van T. , Gilboa Suzanne M. 
Published: September 2022

AbstractObjectivesWe describe clinical characteristics, pregnancy, and infant outcomes in pregnant people with laboratory‐confirmed SARS‐CoV‐2 infection by trimester of infection.Study DesignWe analyzed data from the Surveillance for Emerging Threats to Mothers and Babies Network and included people with infection in 2020, with known timing of infection and pregnancy outcome. Outcomes are described by trimester of infection. Pregnancy outcomes included live birth and pregnancy loss (<20 weeks and ≥20 weeks gestation). Infant outcomes included preterm birth (<37 weeks gestation), small for gestational age, birth defects, and neonatal intensive care unit admission. Adjusted prevalence ratios (aPR) were calculated for pregnancy and selected infant outcomes by trimester of infection, controlling for demographics.ResultsOf 35,200 people included in this analysis, 50.8% of pregnant people had infection in the third trimester, 30.8% in the second, and 18.3% in the first. Third trimester infection was associated with a higher frequency of preterm birth compared to first or second trimester infection combined (17.8% vs. 11.8%; aPR 1.44 95% CI: 1.35–1.54). Prevalence of birth defects was 553.4/10,000 live births, with no difference by trimester of infection.ConclusionsThere were no signals for increased birth defects among infants in this population relative to national baseline estimates, regardless of timing of infection. However, the prevalence of preterm birth in people with SARS‐CoV‐2 infection in pregnancy in our analysis was higher relative to national baseline data (10.0–10.2%), particularly among people with third trimester infection. Consequences of COVID‐19 during pregnancy support recommended COVID‐19 prevention strategies, including vaccination.
Development and validation of stability‐indicating ‐HPLC method for the determination of related substances in novel nitroimidazole antituberculosis drug pretomanid: Robustness study by Design‐Expert and application to stability studies
Authors: Surapuraju Pavan Kumar Raju , Juturu Raveendra Reddy 
Published: September 2022

AbstractThis study developed a stability‐indicating reversed‐phase‐HPLC method for the determination of related substances of the novel antituberculosis drug pretomanid. Critical quality attributes were evaluated and established for the robust method conditions by using quality‐by‐design based design of experiments. Forced degradation studies were carried out under acidic, basic, thermal, oxidative, and photolytic stress conditions. Pretomanid degraded when treated under basic conditions, whereas no significant degradation was observed under other stress conditions. The impurities were separated using a Bakerbond C18 column (150 × 4.6 mm, 3 μm) with the mobile phases 0.1% of orthophosphoric acid and acetonitrile in a time gradient mode. The HPLC method was validated according to the ICH (International Council for Harmonisation of Technical Requirements for Pharmaceuticals for Human Use) tripartite guidelines. Limit of detection and limit of quantitation of pretomanid and all its impurities were 0.1 and 0.4 μg/mL, respectively. The method was found to be linear with a correlation coefficient >0.99, precision (% relative standard deviation < 5.0), robustness, and accuracy (% recovery: 85–115%). Stability studies were evaluated according to the ICH‐Q1A, and the drug was were found to be stable in all storage conditions.
Low‐ dose Apatinib promotes vascular normalization and hypoxia reduction and sensitizes radiotherapy in lung cancer
Authors: Jiang Shanshan , Zhou Yue , Zou Liqing , Chu Li , Chu Xiao , Ni Jianjiao , Li Yida , Guo Tiantian , Yang Xi , Zhu Zhengfei 
Published: September 2022

AbstractBackground and PurposeAbnormal vascular network of tumor can create a hypoxic microenvironment, and reduce radiotherapy sensitivity. Normalization of tumor vasculature can be a new therapeutic strategy for sensitizing radiotherapy. This study aimed to explore the effect of apatinib on vascular normalization, as well as the syngeneic effect with radiotherapy on lung cancer.Materials and MethodsLewis lung carcinoma (LLC) xenograft‐bearing female C57BL/6 mice were treated with different doses of apatinib (30, 60, and 120 mg/kg per day) and/or radiation therapy (8 Gy/1F) and then sacrificed to harvest tumor tissue for immunohistochemical test. Further 18F‐FMISO micro‐ PET in vivo explored the degree of hypoxia.ResultsImmunohistochemistry of CD31 and alpha‐smooth muscle actin (α‐SMA) proved that low‐dose apatinib can normalize vasculature in tumor, especially on Day 10. Tissue staining of hypoxyprobe‐1 and 18F‐FMISO micro‐ PET in vivo showed that 60 mg/kg/day of apatinib significantly alleviates hypoxia. Moreover, this study further proved that low‐dose apatinib (60 mg/kg/day) can enhance the radio‐response of LLC xenograft mice.ConclusionOur data suggested that low‐ dose apatinib can successfully induce a vascular normalization window and function as a radio‐ sensitizer in the lung cancer xenografts model.
A Perspective Study on the RTK, PI3K, B‐Raf, CDK and the Multi‐Protein Targeting in Medicinal Chemistry
Authors: Mohamed Abdalla R. , El Kerdawy Ahmed M. 
Published: September 2022

AbstractThe cellular signaling pathway components that control the different stages of cell maturation such as RTK, PI3K, B‐Raf, and CDK represent crucial antitumor drug targets. The isoform diversity of these components revealed multi‐divergent vents for cancer cells to develop several resistance mechanisms against these new selective drug targets. This review article illustrates the complex nature of cancer, moreover, molecular tracing of tumor resistance towards certain signaling pathways was presented. Several crucial interventions in this regard for antitumor agents’ development were pointed out. The antitumor activities of several cancer chemotherapies targeting kinases were also discussed with a special focus on the structural bases for the design of protein kinase inhibitors. Additionally, a focused literature survey about the various targeted multi‐kinase inhibition approaches as a mean to overcome cancer resistance was also included.
Chemical Profiling and Quality Evaluation of Callicarpa Nudiflora from Different Regions in China by UPLC‐QTOF‐MS Fingerprint
Authors: Jia Qiangqiang , Zhang Hongyang , Hu Ping , Yang Yang , Yang Yifang , Kang Xingdong , Li Xiaofeng , Wu Yongzhong , Xiao Junping , Zhou Bin 
Published: September 2022

AbstractCallicarpa nudiflora, belonging to the family Verbenaceaae, is wildly used as a traditional Chinese herbal medicine (Luo‐hua‐zi‐zhu) for hemostasis, antibiosis and antiphlogosis in clinic. However, the underlying chemical basis of C. nudiflora for the significant effects remains obscure. Hence, an ultra‐performance liquid chromatography coupled with quadrupole‐time‐of‐flight mass spectrometry method was established for the characterization of multi‐constituents in C. nudiflora. As a result, 57 chemical compounds were identified based on their retention times, accurate masses and MS/MS data, and 20 of them were uncovered for the first time in C. nudiflora. In addition, an optimized UHPLC fingerprint analysis, combined with chemometrics including similarity analysis, principal component analysis and partial least squares‐discriminant analysis was developed for quality assessment and origin discrimination of C. nudiflora. Multivariate data analysis revealed the resemblances and differences of C. nudiflora related to regions, while partial least squares‐discriminant analysis screened nine characteristic markers including luteoloside, acteoside, luteolin‐4′‐O‐β‐D‐glucopyranoside, pachypodol, isoquercitrin, nudifloside, 5,7,3′,4′‐tetrahydroxy‐8‐methoxy‐6‐C‐β‐D‐glucopyranosylflavone, 7α‐acetoxysandaracopimaric acid and sandaracopimaric acid which contributed the most to the classification. This was the first report on the comprehensive profiling of chemical components in C. nudiflora, which helped to uncover the material basis of C. nudiflora and possess potential value for quality evaluation and clinical application purpose.
Soft‐Rigid Sandwich‐Structured Hybrid Electrolytes Based on Polymer‐in‐Ceramic Electrolytes for Stable‐Cycle Solid‐State Lithium‐Metal Batteries
Authors: Li Jun , Shi Feng , Liu Jingjin , Zhu Kongjun , Gao Tao , Wang Jing , Yan Kang , Liu Jinsong 
Published: September 2022

AbstractSolid‐state lithium (Li) batteries are regarded as a promising candidate for next‐generation energy storage because of their high capacity and the intrinsic safety of solid‐state electrolytes (SSEs). Building an improved solid‐state battery has two main challenges, namely, to improve the ionic conductivity of solid electrolytes and to reduce interfacial problems. In particular, interfacial issues between SSEs and electrodes are critical factors that affect the performance of SSEs. Accordingly, a soft‐rigid sandwich‐structured hybrid electrolyte, wherein polymer‐in‐ceramic electrolytes (rigid inner structure) are sandwiched in between Celgard separator membranes (soft outer structure), was used to meet the above‐mentioned requirements. Results show that the hybrid electrolyte exhibits high ionic conductivity (4.76×10−4 S cm−1 at room temperature), low interfacial resistance (below 300 Ω for two sides), high thermal stability, and effective inhibition of Li dendrite growth due to its distinct structural advantages. Moreover, the solid‐state LiFePO4||Li battery that used this sandwich‐structured hybrid electrolyte has an initial discharge capacity of 125.8 mAh g−1, a high capacity retention of 94.9 % after 200 cycles, a good rate capability, and excellent Coulombic efficiency (close to 100 % except for the value of the initial cycle, which is 84 %) of 0.2 C at room temperature. Hence, the as‐synthesized sandwich‐structured hybrid electrolyte has great potential for practical application of solid‐state Li‐metal batteries.
Recent Developments in Conductive Polymer‐Based Electro‐/Photoelectrocatalytic Materials for Effective Hydrogen/Oxygen Evolution Reactions: A Review
Authors: Kumaravel Sangeetha , Kim Esther , Kale Bharat B. , Adhikari Arindam , Patel Rajkumar , Kundu Subrata 
Published: September 2022

AbstractCurrently, a substantially greener energy source such as hydrogen fuel cell is an alternative to fossil fuel sources, and much research has been dedicated to achieving highly efficient hydrogen (H2 gas) generation. In this line, electrochemical water splitting that involves hydrogen and oxygen evolution reactions (HER and OER, respectively) is considered to be the greener and most effective hydrogen‐generating procedure with only water as a by‐product. However, in the process of successful OER/HER, it is extremely demanding for electrocatalysts with high activity, stability and cost‐effectiveness for the water splitting process. Herein, the review proposed promising electrocatalysts such as conductive polymers (CPs) with enhanced catalytic effect with the polymer encapsulation of catalytic material that provides an increase in charge transfer kinetics both in OER/HER. Also, the review highlights the OER and HER mechanism of conducting polymers and their effect on the synergism was discussed in detail. Also, the review detailed the reduced overpotentials, importance and enhancement of catalytic efficiency with various polymers reported in both OER and HER. Here, the choice of polymers can matrix with the inorganic active sites to prevent them from aggregation and the water splitting carried out over the electrode surface results in good conductivity to charge transfer from the electrode to the active sites. In addition, the review discussed the polymers induces the photon effect with photoelectrocatalytic water splitting. Thus, the combing effect with conducting polymers and the materials with catalytic active centers open up a new kind of electrocatalyst for synthesis.
Cost‐Effective 2D Ultrathin Metal–Organic Layers with Bis‐Metallic Catalytic Sites for Visible Light‐Driven Photocatalytic CO2 Reduction
Authors: Wang Wei‐Jia , Zhang Yong‐Kang , Wu An‐Guo , He Liang‐Nian 
Published: September 2022

AbstractInvited for the cover of this issue is the group of Liang‐Nian He at Nankai University. The image depicts that 2D ultrathin metal organic layers (MOLs) with bis‐metallic catalytic sites make an efficient photocatalyst resulting in efficient and selective visible‐light‐driven CO2 reduction. Read the full text of the article at 10.1002/chem.202201767.
Image analysis reveals differences in tumor multinucleations in Black and White patients with human papillomavirus‐associated oropharyngeal squamous cell carcinoma
Authors: Koyuncu Can F. , Nag Reetoja , Lu Cheng , Corredor Germán , Viswanathan Vidya S. , Sandulache Vlad C. , Fu Pingfu , Yang Kailin , Pan Quintin , Zhang Zelin , Xu Jun , Chute Deborah J. , Thorstad Wade L. , Faraji Farhoud , Bishop Justin A. , Mehrad Mitra , Castro Patricia D. , Sikora Andrew G. , Thompson Lester D.R. , Chernock Rebecca D. , Lang Kuhs Krystle A. , Wasman Jay K. , Luo Jingqin R. , Adelstein David J. , Koyfman Shlomo A. , Lewis Jr James S. , Madabhushi Anant 
Published: September 2022

BackgroundUnderstanding biological differences between different racial groups of human papillomavirus (HPV)‐associated oropharyngeal squamous cell carcinoma (OPSCC) patients, who have differences in terms of incidence, survival, and tumor morphology, can facilitate accurate prognostic biomarkers, which can help develop personalized treatment strategies.MethodsThis study evaluated whether there were morphologic differences between HPV‐associated tumors from Black and White patients in terms of multinucleation index (MuNI), an image analysis‐derived metric that measures density of multinucleated tumor cells within epithelial regions on hematoxylin–eosin images and previously has been prognostic in HPV‐associated OPSCC patients. In this study, the authors specifically evaluated whether the same MuNI cutoff that was prognostic of overall survival (OS) and disease‐free survival in their previous study, TTR, is valid for Black and White patients, separately. We also evaluated population‐specific cutoffs, TB for Blacks and TW for Whites, for risk stratification.ResultsMuNI was statistically significantly different between Black (mean, 3.88e–4; median, 3.67e–04) and White patients (mean, 3.36e–04; median, 2.99e–04), with p = .0078. Using TTR, MuNI was prognostic of OS in the entire population with hazard ratio (HR) of 1.71 (p = .002; 95% confidence interval [CI], 1.21–2.43) and in White patients with HR of 1.72 (p = .005; 95% CI, 1.18–2.51). Population‐specific cutoff, TW, yielded improved HR of 1.77 (p = .003; 95% CI, 1.21–2.58) for White patients, whereas TB did not improve risk‐stratification in Black patients with HR of 0.6 (p = .3; HR, 0.6; 95% CI, 0.2–1.80).ConclusionsHistological difference between White and Black patient tumors in terms of multinucleated tumor cells suggests the need for considering population‐specific prognostic biomarkers for personalized risk stratification strategies for HPV‐associated OPSCC patients.
The “Tethered Solvent” Effect – H‐Bonding‐Controlled Thermo‐Halochromism of a Push‐Pull Azo Chromophore via Its Secondary Amidoalkyl Acrylamide Side Chain
Authors: Jaik Thorben Gwydion , Jonas Ulrich 
Published: September 2022

AbstractThe fascinating field of thermo‐halochromism of azo chromophores still astounds with unexplored facets nourished by the intricate relationship between molecular structure variations and their spectroscopic signatures. In this respect, we investigated the thermally dependent absorption behaviour of acrylamide derivatives of o‐methyl red, characterised by two secondary amide linkages with hydrogen bonding‐active protons in the pendant alkyl substituent. The systems were studied by a combination of UV‐vis, derivative, and difference, as well as 2D‐NMR (Nuclear Overhauser Effect Spectroscopy, NOESY) spectroscopy. These experiments show that the thermo‐halochromism is specifically influenced by hydrogen bonding interaction of the secondary amidoalkyl acrylamide side chain with the azobenzene core in dependence of the spacer length. Apparently, the substituent acts like a solvent, which is directly tethered to the chromophore and where the tether length determines the interaction by conformational freedom. We refer to this novel phenomenon as “H‐bonding‐controlled thermo‐halochromism”.