bluuebunny/crossref_metadata_2025 huggingface dataset:
Associations of anthropometric cardiometabolic risk factors and leg fat accumulation in children and adolescents from Poland
Authors: Żegleń Magdalena , Kryst Łukasz , Kowal Małgorzata , Woronkowicz Agnieszka
Published: September 2022

Objectives

To analyze the correlation between anthropometric cardiometabolic risk factors with calf adiposity in 4–16‐year‐olds from Poland.

Methods

Three thousand seventy‐six persons (1568 girls and 1508 boys) were examined. Analyzed characteristics included body height, waist, hips and neck circumferences, body weight, six skinfolds. The following were calculated: body mass index (BMI), waist‐to‐hips ratio (WHR), the sum of all skinfolds, and the sum of skinfolds on the waist area.

Results

The relationship between the calf skinfold and the rest of the characteristics was estimated using multiple regression. There was a negative relationship between calf adiposity and fat tissue accumulated around the waist and the BMI (in some groups). This suggests that participants with greater calf adiposity had lower waist adiposity and BMI than those with less fat tissue on the lower limb.

Conclusion

Persons with higher calf adiposity may have a lower cardiometabolic risk. This observation is significant because cardiovascular risk factors can persist from childhood into adulthood. Additionally, cardiovascular issues have numerous medical consequences but also socio‐economic ones, thus they can affect individuals and be a burden on public health.
Effective Magnesium‐catalyzed Hydroboration of Nitriles and Imines
Authors: Seok Ji Eun , Kim Hyun Tae , Kim Jaeho , Lee Ji Hye , Jaladi Ashok Kumar , Hwang Hyonseok , An Duk Keun
Published: September 2022

The reduction of stable functional groups such as nitriles into amines under eco‐friendly conditions is an important conversion process in organic synthesis. The effective hydroboration of nitriles and imines with pinacolborane using ethoxymagnesium chloride was demonstrated under solvent‐free conditions at room temperature. A variety of nitriles and imines were converted into the corresponding amines in excellent yields. In addition, the chemoselective hydroboration of nitriles over alkenes and alkynes was reported in good yields. Furthermore, a suitable reaction mechanism for nitrile hydroboration was proposed based on density functional theory calculations.
Challenges and Prospects in the Catalytic Conversion of Carbon Dioxide to Formaldehyde
Authors: Zhao Siqi , Liang Hong‐Qing , Hu Xin‐Ming , Li Simin , Daasbjerg Kim
Published: September 2022

Formaldehyde (HCHO) is a crucial C1 building block for daily‐life commodities in a wide range of industrial processes. Industrial production of HCHO today is based on energy‐ and cost‐intensive gas‐phase catalytic oxidation of methanol, which calls for exploring other and more sustainable ways of carrying out this process. Utilization of carbon dioxide (CO2) as precursor presents a promising strategy to simultaneously mitigate the carbon footprint and alleviate environmental issues. This Minireview summarizes recent progress in CO2‐to‐HCHO conversion using hydrogenation, hydroboration/hydrosilylation as well as photochemical, electrochemical, photoelectrochemical, and enzymatic approaches. The active species, reaction intermediates, and mechanistic pathways are discussed to deepen the understanding of HCHO selectivity issues. Finally, shortcomings and prospects of the various strategies for sustainable reduction of CO2 to HCHO are discussed.
Quantifying the Solution Structure of Metal Nanoclusters Using Small‐Angle Neutron Scattering
Authors: Liu Xindi , Yang Huayan , Chen Yuxiang , Yang Ye , Porcar Lionel , Radulescu Aurel , Guldin Stefan , Jin Rongchao , Stellacci Francesco , Luo Zhi
Published: September 2022

Metal nanoclusters are a unique class of synthetic material, as their crystal structures can be resolved using X‐ray diffraction, and their chemical formula can be precisely determinated from mass spectroscopy. However, a complete structure characterization by these two techniques is often a challenging task. Here, we utilize small‐angle neutron scattering (SANS) to directly quantify the key structure parameters of a series of silver and gold nanoclusters in solution. The results not only correlate well to their crystallographic structures, but also allow the quantification of the counterions layer surrounding charged nanoclusters in solution. Furthermore, when combining with X‐ray scattering, it is possible to estimate the molecular weight of both the metal core and the ligand shell of nanoclusters. This work offers an alternative characterization tool for nanoclusters without the requirement of crystallization or gas phase ionization.
Cu‐Catalyzed Coupling Reactions of Sulfonamides with (Hetero)Aryl Chlorides/Bromides
Authors: Li Qiaoli , Xu Lanting , Ma Dawei
Published: September 2022

DirectN‐arylation of sulfonamides is a very attractive approach for preparing pharmaceutically importantN‐(hetero)aryl sulfonamides because it avoids the potential genotoxic problem resulting from the previous condensation method. Most known catalytic methods suffer from limited reaction scope and inconveniency on metal catalyst and ligand availability. Here we described that the combination of copper and oxalamides (or 4‐hydroxypicolinamides) offers a powerful catalytic system forN‐arylation of sulfonamides. A wide range of primary and secondary sulfonamides were able to couple with a series of (hetero)aryl bromides in the presence of 2–5 mol % copper salts and oxalamides at 100 °C. Coupling of primary sulfonamides with (hetero)aryl chlorides worked well under the catalysis of Cu2O and a 4‐hydroxypicolinamide. The catalytic method enabled direct sulfonamidation of four chloro‐containing marketed drugs and preparation of two sulfonamide drugs from the corresponding aryl halides.
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

Designing 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

Oxetanocin 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

The 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

Although 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 Summary

What 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

The 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

Objectives

We describe clinical characteristics, pregnancy, and infant outcomes in pregnant people with laboratory‐confirmed SARS‐CoV‐2 infection by trimester of infection.

Study Design

We 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.

Results

Of 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.

Conclusions

There 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

This 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

Background and Purpose

Abnormal 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 Methods

Lewis 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.

Results

Immunohistochemistry 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.

Conclusion

Our 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

The 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

Callicarpa 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

Solid‐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

Currently, 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

Invited 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

Background

Understanding 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.

Methods

This 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.

Results

MuNI 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).

Conclusions

Histological 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

The 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”.
The cytotoxicity of karanjin toward breast cancer cells is involved in the PI3K/Akt signaling pathway
Authors: Yu Jinsong , Yang Han , Lv Chunliu , Dai Xiaowei
Published: September 2022

Karanjin is a bioactive furanoflavonoid with various pharmacological activities including anticancer activities. However, the effect and the related mechanism of karanjin in breast cancer (BC) have not been revealed. The potential targets of karanjin and BC were predicted using SwissTargetPrediction and GeneCards databases, respectively. The overlapping targets between karanjin and BC were identified using the Venn diagram. DAVID database was used for the Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment pathway analysis. Cell viability, proliferation, and apoptosis were examined by MTT (3‐(4, 5‐dimethyl‐2‐thiazolyl)‐2, 5‐diphenyl‐tetrazolium bromide), EdU (5‐ethynyl‐2′‐deoxyuridine) incorporation, and TUNEL (terminal deoxynucleotidyl transferase‐mediated dUTP digoxigenin nick‐end labeling) assays, respectively. The protein levels were measured by western blot analysis. We screened out 28 overlapping targets between karanjin and BC. KEGG analysis showed that the targets of karanjin in BC were associated with the phosphatidylinositol 3‐kinase (PI3K)/protein kinase B (Akt) pathway. Karanjin inhibited cell viability and impeded the proliferative ability of BC cells. Moreover, karanjin treatment induced apoptosis in BC cells. Additionally, karanjin treatment blocked the PI3K/Akt signaling pathway and activation of the PI3K/Akt pathway reversed the antitumor effect of karanjin on BC cells. In conclusion, karanjin exerted antitumor activity in BC cells by regulating the PI3K/Akt signaling pathway.
Hormonal and behavioral responses to an infant simulator in women with and without children
Authors: Sinisalo Hanneli , Bakermans‐Kranenburg Marian J. , Peltola Mikko J.
Published: September 2022

We investigated the impact of maternal status on hormonal reactivity and behavioral responses to an infant simulator in 117 women (54 primiparous, 63 nulliparous). The amount of affectionate touch and motherese were analyzed as behavioral measures of caregiving. Saliva was collected before and 10 min after interaction with the infant simulator to analyze oxytocin, testosterone, cortisol, and estradiol levels. Nulliparous women also provided information about their fertility motivation. Linear mixed models indicated that greater use of affectionate touch was associated with lower overall testosterone levels. Cortisol decreased in response to the interaction in both groups. In the primiparous group, the amount of affectionate touch associated inversely with cortisol levels, whereas in the nulliparous group such association was not found. Oxytocin or estradiol reactivity to the simulator did not differ between the groups, nor were these hormones associated with behavior. Higher fertility motivation in nulliparous women was related to more motherese, and lower testosterone levels. Our results indicate that the simulator elicits hormonal reactivity both in mothers and nonmothers, but the patterns of associations between caregiving behavior and hormonal levels may be partially different. These results encourage using the infant simulator to explore hormonal processes related to the transition to parenthood.
Anthropometric parameters‐derived estimation of muscle mass predicts all‐cause mortality in heart failure patients
Authors: Katano Satoshi , Honma Suguru , Nagaoka Ryohei , Numazawa Ryo , Yamano Kotaro , Fujisawa Yusuke , Ohori Katsuhiko , Kouzu Hidemichi , Hashimoto Akiyoshi , Katayose Masaki , Yano Toshiyuki
Published: September 2022

Aims

Reduction in appendicular skeletal muscle mass index (ASMI) assessed by dual‐energy X‐ray absorptiometry (DEXA) has been shown to be independently associated with a higher mortality rate in patients with heart failure (HF). However, DEXA is not suitable for measurement of muscle mass in a daily clinical setting and in large population‐based studies. The aim of this study was to determine whether ASMI predicted from anthropometric indicators (predicted ASMI) serves as an alternative to DEXA‐measured ASMI for predicting all‐cause death in HF patients.

Methods and Results

Data for 539 HF patients who received a DEXA scan and measurements of calf circumferences (CC) and mid‐arm circumferences (MAC) in our hospital were analysed. Predicted ASMI was calculated as we previously reported: predicted ASMI (kg/m2) = [0.214 × weight (kg) + 0.217 × CC (cm) − 0.189 × MAC (cm) + 1.098 (male = 1, female = −1) + 0.576]/height2 (m2). Low ASMI values were defined as <7.00 kg/m2 and <5.40 kg/m2 for men and women, respectively, according to the criteria of the Asian Working Group for Sarcopenia. The median follow‐up period was 1.75 years (interquartile range, 0.96–2.37 years), and 79 patients (15%) died. Kaplan–Meier survival curves showed that patients with low DEXA‐measured ASMI and patients with low predicted ASMI had significantly lower survival rates than those for patients with high ASMI. In multivariate Cox proportional hazard analyses adjusted for age, sex, logarithmic B‐type natriuretic peptide, cystatin C based‐estimated glomerular filtration rate, and gait speed, DEXA‐measured ASMI [hazard ratio (HR), 0.982; 95% confidence interval (CI), 0.967–0.998; P = 0.026] and predicted ASMI (HR, 0.979; 95% CI, 0.962–0.996; P = 0.018) were independent predictors of all‐cause mortality. Inclusion of predicted ASMI into the adjustment model significantly improved continuous net reclassification improvement (0.338; 95% CI, 0.103–0.572; P < 0.01) and integrated discrimination improvement (0.020; 95% CI, 0.004–0.035; P < 0.05) for predicting mortality after discharge.

Conclusions

Predicted ASMI, as well as DEXA‐measured ASMI, can predict all‐cause death in HF patients, and calculation of predicted ASMI will be useful for detecting high‐risk patients in a daily clinical setting and in large population‐based studies.
The role of the parahippocampal cortex in landmark‐based distance estimation based on the contextual hypothesis
Authors: Liang Qunjun , Liao Jiajun , Li Jinhui , Zheng Senning , Jiang Xiaoqian , Huang Ruiwang
Published: September 2022

Parahippocampal cortex (PHC) is a vital neural bases in spatial navigation. However, its functional role is still unclear. “Contextual hypothesis,” which assumes that the PHC participates in processing the spatial association between the landmark and destination, provides a potential answer to the question. Nevertheless, the hypothesis was previously tested using the picture categorization task, which is indirectly related to spatial navigation. By now, study is still needed for testing the hypothesis with a navigation‐related paradigm. In the current study, we tested the hypothesis by an fMRI experiment in which participants performed a distance estimation task in a virtual environment under three different conditions: landmark free (LF), stable landmark (SL), and ambiguous landmark (AL). By analyzing the behavioral data, we found that the presence of an SL improved the participants' performance in distance estimation. Comparing the brain activity in SL‐versus‐LF contrast as well as AL‐versus‐LF contrast, we found that the PHC was activated by the SL rather than by AL when encoding the distance. This indicates that the PHC is elicited by strongly associated context and encodes the landmark reference for distance perception. Furthermore, accessing the representational similarity with the activity of the PHC across conditions, we observed a high similarity within the same condition but low similarity between conditions. This result indicated that the PHC sustains the contextual information for discriminating between scenes. Our findings provided insights into the neural correlates of the landmark information processing from the perspective of contextual hypothesis.
Profiles of copper intrauterine devices and levonorgestrel intrauterine systems users in France in 2019: A national observational population‐based study
Authors: Roland Noémie , Baricault Bérangère , Dray‐Spira Rosemary , Weill Alain , Duranteau Lise , Zureik Mahmoud
Published: September 2022

Objective

To assess the user profiles of copper intrauterine devices (Cu‐IUD) and levonorgestrel intrauterine systems (LNG‐IUS) in France in 2019 and the rates of continuation 1 year later.

Methods

A population‐based study was conducted of all French women aged 13–49 years for whom an IUD was dispensed in 2019. Information was collected from the French National Health Data System about their characteristics at the time of dispensation and indicators of continued use 1 year later. Associations between these characteristics and the type of IUD were analyzed using multivariate regressions.

Results

A total of 477 705 Cu‐IUDs and 355 242 LNG‐IUSs (mean age 32.5 ± 7.3 and 36.4 ± 7.7 years, respectively) were dispensed in 2019. After adjustment, having a LNG‐IUS rather than a Cu‐IUD was associated with being aged 35–44 years compared to 25–35 years (odds ratio [OR35–44] 2.03, 95% confidence interval [CI] 2.01–2.05), having a prescription by a gynecologist rather than a general practitioner (OR35–44 1.09, 95% CI 1.08–1.11), and having a gynecological history (OR35–44 2.28, 95% CI 2.20–2.36). The continuation rates 1 year after dispensation were 86.4% for Cu‐IUD versus 85.7% for LNG‐IUS. A Cu‐IUD dispensation rather than a LNG‐IUS one was associated with a higher chance of continued use 1 year later.

Conclusion

Two different patterns of use of Cu‐IUDs and LNG‐IUSs in France are highlighted.
Potential issues specific to cytotoxicity tests of cellulose nanofibrils
Authors: Moriyama Akihiro , Ogura Isamu , Fujita Katsuhide
Published: September 2022

Cellulose nanofibrils (also called cellulose nanofibers or nanofibrillated cellulose [CNFs]) are novel polymers derived from biomass with excellent physicochemical properties and various potential applications. However, the introduction of such new materials into the market requires thorough safety studies to be conducted. Recently, toxicity testing using cultured cells has attracted attention as a safety assessment that does not rely on experimental animals. This article reviews recent information regarding the cytotoxicity testing of CNFs and highlights the issues relevant to evaluating tests. In the literature, we found that a variety of cell lines and CNF exposure concentrations was evaluated. Furthermore, the results of cytotoxicity results tests differed and were not necessarily consistent. Numerous reports that we examined had not evaluated endotoxin/microbial contamination or the interaction of CNFs with the culture medium used in the tests. The following potential specific issues involved in CNF in vitro testing, were discussed: (1) endotoxin contamination, (2) microbial contamination, (3) adsorption of culture medium components to CNFs, and (4) changes in aggregation/agglomeration and dispersion states of CNFs resulting from culture medium components. In this review, the available measurement methods and solutions for these issues are also discussed. Addressing these points will lead to a better understanding of the cellular effects of CNFs and the development of safer CNFs.
Computational studies on the excited state decay rates in aggregates of two‐coordinate Cu (I) complexes: Thermally Activated Delayed Fluorescence and Aggregation Induced Emis
Authors: Lin Shiyun , Ou Qi , Peng Qian , Shuai Zhigang
Published: September 2022

Two‐coordinate Cu (I) complexes have attracted great interest recently because of the rich photophysical property in solid state, including the aggregation‐induced thermal activated delayed fluorescence. Here, we summarize our theoretical investigations on the excited state structure and decay dynamics for the two‐coordinate Cu (I) complexes in solution phase and solid state by the thermal vibration correlation function rate formalism we developed earlier coupled with time‐dependent density‐functional theory within polarizable continuum model and hybrid quantum and molecular mechanics. First, for the CAACCu (I)Cl complex, we found that the nature of the excited state undergoes a change from metal‐to‐ligand charge transfer (MLCT) in solution to hybrid halogen‐to‐ligand charge transfer and MLCT in solid state. The bending vibrations of the CCuCl and CuCN bonds are restricted in aggregates, reducing the non‐radiative decay rate to cause strong solid‐state fluorescence. Second, for CAACCu (I)Cz, we found that both intersystem crossing (ISC) and reverse intersystem crossing (rISC) are enhanced by 2–4 orders of magnitudes upon aggregation, leading to highly efficient thermally activated delayed fluorescence (TADF). The enhanced ISC and rISC rates can be attributed to the increase of the metal proportion in the frontier molecular orbitals, leading to an enhanced spin−orbit coupling between S1 and T1. The reaction barriers for ISC and rISC are much lower in solution than that in aggregate phase resulting in a decrease in energy gap and an increase in the relative reorganization energy through bending the angle ∠C − Cu − N for T1. Our theoretical studies provide a clear rationalization for the highly efficient solid‐state luminescence character of two‐coordinate Cu (I) complexes and may clarify the ongoing dispute on the understanding of the high TADF quantum efficiency.
The effect of computed tomography parameters on sarcopenia and myosteatosis assessment: a scoping review
Authors: Lortie Jevin , Gage Grace , Rush Benjamin , Heymsfield Steven B. , Szczykutowicz Timothy P. , Kuchnia Adam J.
Published: September 2022

Computed tomography (CT) is a valuable assessment method for muscle pathologies such as sarcopenia, cachexia, and myosteatosis. However, several key underappreciated scan imaging parameters need consideration for both research and clinical use, specifically CT kilovoltage and the use of contrast material. We conducted a scoping review to assess these effects on CT muscle measures. We reviewed articles from PubMed, Scopus, and Web of Science from 1970 to 2020 on the effect of intravenous contrast material and variation in CT kilovoltage on muscle mass and density. We identified 971 articles on contrast and 277 articles on kilovoltage. The number of articles that met inclusion criteria for contrast and kilovoltage was 11 and 7, respectively. Ten studies evaluated the effect of contrast on muscle density of which nine found that contrast significantly increases CT muscle density (arterial phase 6–23% increase, venous phase 19–57% increase, and delayed phase 23–43% increase). Seven out of 10 studies evaluating the effect of contrast on muscle area found significant increases in area due to contrast (≤2.58%). Six studies evaluating kilovoltage on muscle density found that lower kilovoltage resulted in a higher muscle density (14–40% increase). One study reported a significant decrease in muscle area when reducing kilovoltage (2.9%). The use of contrast and kilovoltage variations can have dramatic effects on skeletal muscle analysis and should be considered and reported in CT muscle analysis research. These significant factors in CT skeletal muscle analysis can alter clinical and research outcomes and are therefore a barrier to clinical application unless better appreciated.
Ultrasound‐assisted extraction of oil from hempseed (Cannabis sativa L.): Part 2
Authors: Girotto Francesca , Esposito Marilena , Piazza Laura
Published: September 2022

BACKGROUND

Oilseed‐matrix consolidation is a crucial factor when talking about oil expression because, as the cake consolidates, the coefficient of permeability inevitably decreases. Thus, any treatment that extensively ruptures cell walls reduces rigidity and hardness of the oilseed press‐cake, while improving the oil expression. Such process intensification was investigated in the present study through the introduction of the ultrasound (US) technology.

Screw pressing of Cannabis sativa L. seeds was operated using a pilot scale equipment set at three different pressures (low, medium and high) to understand the correlation with the ultrasound effectiveness. Samples of non‐exhausted press‐cakes were tested for objective instrumental indices of compressibility and oil expression yields prior and after the US treatment.

RESULTS

US led to a drag resistance reduction within press‐cakes, improving oil flowability through a decrease in the material cohesiveness and adhesiveness. Consistently, sonication favoured oil extraction yields and oil antioxidant capacities, which increased with respect to the untreated samples, respectively equal to +19.2% and + 29.4% for the press‐cake screwed at low pressure, to +21.8% and + 49.3% at medium pressure, and to +15.4% and + 0.5% at high pressure. Overall, US highest effectiveness was accounted for samples screwed at medium pressure.

CONCLUSION

Press‐cake compressibility can be well described by macroscopic texture parameters; indeed, their decrease is linked to higher oil expression efficiencies. Sonication can help boosting oil extraction yields reducing drag resistance within the mechanical screwing equipment. These outcomes offer good potentials for US application in the hempseed technology and, more extensively, in the oil seed industry. © 2022 Society of Chemical Industry.