bluuebunny/crossref_metadata_2025 huggingface dataset:
Electrochemical Sensitization of Activated Carbon by Microporous MOF for Supercapacitor Applications
Authors: Ali Aya , Basuni Mustafa , Soliman Ahmed B. , El‐Mehalmey Worood A. , Ibrahim Ahmed H. , El‐Bahry Mady , Alkordi Mohamed H.
Published: November 2021

The remarkable performance of activated carbon as active electrode material in supercapacitors enabled its large‐scale industrialization. Herein, the utilization of facile physical mixing process of microporous, chemically robust, Zr‐based metal‐organic framework for surface‐modification of activated carbon to enhance its charge retention capacitance is reported. In this approach, the high surface area of the microporous MOF increases the active surface area of the activated carbon, providing an extra layer with facilitated electrolyte diffusion properties that effectively modulates the solid–electrolyte interface. A critical optimal coverage of 5wt % by the MOF crystallites is identified, resulting in increased specific capacitance of the activated carbon by ∼80 %, as compared to the pristine carbon. At higher MOF coverage, the poor electronic conductivity of the MOF hindered the inter‐grain charge mobilization within the activated carbon, thus adversely affecting the overall capacitive performance.
Halogen Bonding Adsorbent Pyridine N‐oxides for Iodine Capture in Water
Authors: Wu Wen Xin , Liu Hu Cheng , Jin Wei Jun
Published: November 2021

Rapid capture of 129I with high volatility and toxicity in the environment has attracted much attention. Herein we reported a firstly synthesized nonporous material: pyridine N‐oxides (NTPO and ATPO) as iodine adsorbent. Both of NTPO and ATPO exhibit remarkable performance on the adsorption of iodine in aqueous solution, vapor state and organic solvents. Upon the capture of iodine, pyridine N‐oxides were transformed to binary cocrystals combined with the pyridine N‐oxides and iodine which is driven by halogen bond between iodine and oxygen atoms. Moreover, pyridine N‐oxides shows high chemical, thermal and moisture stability.
Rational Design of Self‐Assembled Mitochondria‐Targeting Lytic Peptide Conjugates with Enhanced Tumor Selectivity
Authors: Liu Sijin , Wang Biao , Sheng Yina , Dong Suwei , Liu Guoquan
Published: November 2021

Membrane lytic peptides (MLP) are widely explored as cellular delivery vehicles or antitumor/antibacterial agents. However, the poor selectivity between cancer and normal cells slims their prospects as potential anti‐tumor drugs. Herein, we have developed a rationally designed self‐assembly strategy to enhance tumor selectivity of MLP‐based conjugates, incorporating a hydrophobic triphenylphosphonium (TPP) group for mitochondria targeting, and a hydrophilic arginine‐glycine‐aspartic acid (RGD) sequence targeting integrins. The self‐assembly nanoparticles can enhance the stability of the peptides in vitro plasma and be endocytosed selectively into the cancer cells. The histidine‐rich lytic peptide component assists the disruption of endosomal/lysosomal membranes and subsequent the mitochondria membrane, which leads to apoptosis. This rational design of MLP‐based conjugates provides a practical strategy to increase the application prospects of lytic peptides in cancer treatment.
Study on degradation of Cambodian panel painting during UV aging
Authors: Buntem Radchada , La Sokheng
Published: November 2021

In this research, the glue films, ground and paint layers were aged under UV‐C radiation. The glue films were prepared using tamarind gum and liang‐chey resin powders. The ground (calcium carbonate mixed with tamarind glue) and paint layers (red cinnabar, malachite, Prussian blue mixed with liang‐chey resin) were applied on the iron wood using traditional tempera technique. The degree of disintegration was determined using scanning electron microscopy with energy dispersive X‐ray instrumentation, thermogravimetric analysis, attenuated total reflectance Fourier transformed infrared spectroscopy and powder X‐ray diffraction. The tamarind film turned brown after 14 days. While, liang‐chey resin film did not show any significant color change. The thermogravimetric analysis showed the lower thermal stability of the aged tamarind film. The discoloration and cracking on the ground layer surface stemmed from the disintegration of tamarind binder. After 14‐day exposure, the color of red cinnabar changed from bright red to dark red with black spots all over the surface. These spots were identified by powder X‐ray diffraction measurements as β‐HgS (black). After prolonged UV exposure, the white solid was appeared on the cinnabar surface and identified as anhydrite (anhydrous CaSO4) and gypsum (CaSO4.2H2O). The yellow color appeared on the malachite surface might come from the discoloration of the tamarind glue binder in the ground layer. While the brown layer found on aged Prussian blue surface was confirmed as the mixture of β‐PbO2, Pb3O4, and β‐FeOOH.
Synthesis and Functionality Study of Photoswitchable Hydrazone Oligodeoxynucleotides
Authors: Chang Zhihua , Mao Song , Zheng Ya Ying , Sheng Jia
Published: November 2021

This article provides a detailed procedure for the chemical synthesis and characterization of photoswitchable hydrazone phosphoramidite and its incorporation into oligodeoxynucleotides. The synthesis starts with commercially available deoxyuridine, followed by conversion of the 4‐oxo into a 4‐chloro moiety via Appel reaction to install the key hydrazone group in the absence of base. The hydrazone phosphoramidite building block is compatible with the conventional amidite chemistry protocols for solid‐phase synthesis of oligodeoxynucleotides. Our method expands the current nucleotide pool by adding a novel, functional DNA building block that is suitable for a broad spectrum of applications, including the regulation of DNA‐enzyme interactions and DNA synthesis by irradiation with cell‐friendly blue light. © 2021 Wiley Periodicals LLC.

Basic Protocol 1: Preparation of photoswitchable hydrazone phosphoramidite

Basic Protocol 2: Synthesis and purification of oligodeoxynucleotides containing the hydrazone photoswitch

Basic Protocol 3: Primer extension assay for functionality studies of hydrazone cytidine
Oral health problems linked to obstructive sleep apnea are not always recognized within dental care—As described by dental professionals
Authors: Berggren Kristina , Broström Anders , Firestone Allen , Wright Bridget , Josefsson Eva , Lindmark Ulrika
Published: November 2021

Objectives

Obstructive sleep apnea (OSA) has an impact on an individual's quality of life and general health, and can also affect their oral health. The patient's experiences, together with intraoral signs and symptoms could indicate the presence of OSA. Knowledge that the patient has, or is at high risk for having OSA can help the dental healthcare provider maintain the oral health and general health for these patients. The purpose was to explore dentists and dental hygienists' experiences when encountering adult patients with potential, untreated and treated OSA.

Methods

A qualitative inductive approach was used. Experienced dentists and dental hygienists working within Swedish Public Dental Service were strategically selected. Semi‐structured face‐to‐face interviews were performed followed by qualitative content analysis.

Results

Interviews from 13 participants, seven dental hygienist and six dentists, led to three areas describing varied experience: Importance of the patient encounter and identifying intraoral signs both of which describe experiences related to the importance of the initial unstructured conversation and focused clinical assessments, and strategies for nurturing care which point to interest about care, treatment, and collaborations with medical health care providers.

Conclusions

Dental professionals are not able to consistently recognize patients who have, or are at high risk for OSA. During the patient encounter, is it important to determine if a patient is at risk for, or has oral signs of OSA.
Killer whale (Orcinus orca) population dynamics in response to a period of rapid ecosystem change in the eastern North Atlantic
Authors: Jourdain Eve , Goh Tiffany , Kuningas Sanna , Similä Tiu , Vongraven Dag , Karoliussen Richard , Bisther Anna , Hammond Philip S.
Published: November 2021

This study investigates survival and abundance of killer whales (Orcinus orca) in Norway in 1988–2019 using capture–recapture models of photo‐identification data. We merged two datasets collected in a restricted fjord system in 1988–2008 (Period 1) with a third, collected after their preferred herring prey shifted its wintering grounds to more exposed coastal waters in 2012–2019 (Period 2), and investigated any differences between these two periods. The resulting dataset, spanning 32 years, comprised 3284 captures of 1236 whales, including 148 individuals seen in both periods. The best‐supported models of survival included the effects of sex and time period, and the presence of transients (whales seen only once). Period 2 had a much larger percentage of transients compared to Period 1 (mean = 30% vs. 5%) and the identification of two groups of whales with different residency patterns revealed heterogeneity in recapture probabilities. This caused estimates of survival rates to be biased downward (females: 0.955 ± 0.027 SE, males: 0.864 ± 0.038 SE) compared to Period 1 (females: 0.998 ± 0.002 SE, males: 0.985 ± 0.009 SE). Accounting for this heterogeneity resulted in estimates of apparent survival close to unity for regularly seen whales in Period 2. A robust design model for Period 2 further supported random temporary emigration at an estimated annual probability of 0.148 (± 0.095 SE). This same model estimated a peak in annual abundance in 2015 at 1061 individuals (95% CI 999–1127), compared to a maximum of 731 (95% CI 505–1059) previously estimated in Period 1, and dropped to 513 (95% CI 488–540) in 2018. Our results indicate variations in the proportion of killer whales present of an undefined population (or populations) in a larger geographical region. Killer whales have adjusted their distribution to shifts in key prey resources, indicating potential to adapt to rapidly changing marine ecosystems.
Biological nanoparticles: Relevance as novel target drug delivery systems and leading chromatographic isolation approaches
Authors: González‐Félix Martha Alicia , Mejía‐Manzano Luis Alberto , González‐Valdez José
Published: November 2021

Nanotechnology is one of the most promising technologies of the 21st century, and it is now presenting an enormous impact on target drug delivery. In this context, the recent use of natural vesicle‐like nanoparticles such as extracellular vesicles (i.e., exosomes, microvesicles, and apoptotic bodies) and virus‐like particles is rendering encouraging results mostly because these delivery systems present cargo versatility, favorable body circulating advantages, biocompatibility, immunogenicity, and the capacity to be modified superficially to increase their affinity to a certain target or to control their entrance to the cell. However, some of the biggest challenges toward their clinical implementation are poorly standardized processing operations due to their inherent heterogeneity and expensive, long‐lasting, and difficult to scale isolation procedures that can also affect the stability of the particles. Under these circumstances, chromatographic procedures represent an attractive and favorable alternative to overcome their downstream processing. Moreover, even when standardized chromatographic purification protocols are still in development, great achievements have been made using size exclusion, ionic exchange, hydrophobic interaction, and affinity protocols, mostly because of the correct harnessing of the nanovesicle membrane properties. In this sense, this review focuses on presenting the current understanding on the most promising therapeutic biological nanoparticles and the chromatographic isolation approaches employed in their recovery, providing at the same time recent findings and a general overview of the aspects that might impact the outcome of chromatographic techniques for this application.
Development of machine learning models based on air temperature for estimation of global solar radiation in India
Authors: Husain Shahid , Khan Uzair Ali
Published: November 2021

The designing of solar thermal systems need accurate information on global solar radiation (GSR). In the present study, six machine learning models, for example, random forest, k‐nearest neighbors, Gaussian process regression, support vector machine, multilayer perception, and XGBoost, are developed for GSR prediction with only air temperature as input for different climatic zones of India. The performance of machine learning models is also compared with some well‐known empirical models. The results show that generally, the performance of the machine learning models is better than empirical models, though, for a few climatic zones, empirical models give a better prediction. The top‐performing models are k‐nearest neighbors and XGBoost. Thus, we highly recommend temperature‐based models to predict GSR in the regions of India where only air temperature data are available. The accurate information of future GSR can be easily obtained by combining future air temperature forecasts with KNN/XGBoost models. These models can be extremely helpful in designing solar thermal systems in those regions where solar radiation facility is not available.
Effect of pilot fuel injection timing on the performance, combustion, and exhaust emissions of biodiesel–ethanol–diethyl ether blend fueled CRDI engine under hydrogen dual fuel strategies
Authors: Bhowmik Subrata , Paul Abhishek , Panua Rajsekhar
Published: November 2021

The present investigation utilizes a completely biodiesel based ternary blend pilot fuel for the hydrogen dual fuel operation in a CRDI engine. The pilot fuel was formulated with 88% biodiesel, 10% ethanol, and 2% diethyl ether to closely replicate the cetane index and heating value of petroleum diesel. The pilot injection angle was varied at 8°, 12°, 14°, 16°, and 18° before top dead center at 210 bar fuel injection pressure to study the effect of pilot fuel injection angle on performance, combustion, and emission of a hydrogen dual fuel engine at full load condition. Three different hydrogen injection durations, 1200, 2500, and 3700 μs with a constant flow rate of 0.9 kg/h were used to assess the effect of increasing hydrogen mass flow rate on the engine. The results showed that advancing pilot fuel injection angle remarkably improved the performance of engine with 13.36% higher brake thermal efficiency,9.28% lower hydrocarbon and 11.03% lower carbon monoxide emission with hydrogen injection duration of 3700 μs and pilot injection angle of 16° bTDC. However, this also increased the oxides of nitrogen emissions by 11.07%. Therefore, the results proved the efficacy of injection advancement of biodiesel based ternary blend pilot fuel in extracting better performance output from a hydrogen dual fuel CRDI engine.
Metabolomics study reveals systematic metabolic dysregulation and early detection markers associated with incident pancreatic cancer
Authors: Wang Shuangyuan , Li Mian , Yan Li , He Meian , Lin Hong , Xu Yu , Wan Qin , Qin Guijun , Chen Gang , Xu Min , Wang Guixia , Qin Yingfen , Luo Zuojie , Tang Xulei , Wang Tiange , Zhao Zhiyun , Xu Yiping , Chen Yuhong , Huo Yanan , Hu Ruying , Ye Zhen , Dai Meng , Shi Lixin , Gao Zhengnan , Su Qing , Mu Yiming , Zhao Jiajun , Chen Lulu , Zeng Tianshu , Yu Xuefeng , Li Qiang , Shen Feixia , Chen Li , Zhang Yinfei , Wang Youmin , Deng Huacong , Liu Chao , Wu Shengli , Yang Tao , Li Donghui , Ning Guang , Wu Tangchun , Wang Weiqing , Bi Yufang , Lu Jieli ,   4C Study Group
Published: November 2021

Biomarkers for early detection of pancreatic cancer are in urgent need. To explore systematic circulating metabolites unbalance and identify potential biomarkers for pancreatic cancer in prospective Chinese cohorts, we conducted an untargeted metabolomics study in subjects with incident pancreatic cancer and matched controls (n = 192) from the China Cardiometabolic Disease and Cancer Cohort (4C) Study. We characterized 998 metabolites in baseline serum and calculated 156 product‐to‐precursor ratios based on the KEGG database. The identified metabolic profiling revealed systematic metabolic network disorders before pancreatic cancer diagnosis. Forty‐Five metabolites or product‐to‐precursor ratios showed significant associations with pancreatic cancer (P < .05 and FDR < 0.1), revealing abnormal metabolism of amino acids (especially alanine, aspartate and glutamate), lipids (especially steroid hormones), vitamins, nucleotides and peptides. A novel metabolite panel containing aspartate/alanine (OR [95% CI]: 1.97 [1.31‐2.94]), androstenediol monosulfate (0.69 [0.49‐0.97]) and glycylvaline (1.68 [1.04‐2.70]) was significantly associated with risk of pancreatic cancer. Area under the receiver operating characteristic curves (AUCs) was improved from 0.573 (reference model of CA 19‐9) to 0.721. The novel metabolite panel was validated in an independent cohort with AUC improved from 0.529 to 0.661. These biomarkers may have a potential value in early detection of pancreatic cancer.
Investigating COVID‐19 stress and coping: Substance use and behavioural disengagement
Authors: Greenglass Esther , Chiacchia Daniel , Fiskenbaum Lisa
Published: November 2021

The purpose of this online empirical study was to examine the relationship between COVID‐19 stress, coping including substance use and behavioural disengagement, and avoidance behaviour early on in the COVID‐19 pandemic. Participants, recruited from Amazon's Mechanical Turk (MTurk, N = 730), were adults from Canada, the United States, Italy, Germany and the United Kingdom. Results of path analysis showed that feeling threatened by the virus, predicted greater COVID‐19 anxiety, which was related to greater substance use to cope with the virus, as well as more behavioural disengagement, which predicted less avoidance behaviour. Implications of the results are discussed, particularly the relationship between coping and avoidance behaviour during the pandemic.
Review of cancer cell resistance mechanisms to apoptosis and actual targeted therapies
Authors: Kulbay Merve , Paimboeuf Adeline , Ozdemir Derman , Bernier Jacques
Published: November 2021

The apoptosis pathway is a programmed cell death mechanism that is crucial for cellular and tissue homeostasis and organ development. There are three major caspase‐dependent pathways of apoptosis that ultimately lead to DNA fragmentation. Cancerous cells are known to highly regulate the apoptotic pathway and its role in cancer hallmark acquisition has been discussed over the past decades. Numerous mutations in cancer cell types have been reported to be implicated in chemoresistance and treatment outcome. In this review, we summarize the mutations of the caspase‐dependant apoptotic pathways that are the source of cancer development and the targeted therapies currently available or in trial.
Mothers’ high glycemic levels and the association between periodontitis and low birth weight
Authors: Gomes‐Filho Isaac Suzart , Trindade Soraya Castro , da Cruz Simone Seixas , Figueiredo Ana Claudia Morais Godoy , Hintz Alexandre Marcelo , Adan Luis Fernando Fernandes , Cerqueira Eneida de Moraes Marcílio , Passos‐Soares Johelle de Santana , Vianna Maria Isabel Pereira , Coelho Julita Maria Freitas , Alves Claúdia Maria Coêlho , Barreto Maurício Lima , Seymour Gregory John , Loomer Peter Michael , Scannapieco Frank Andrew
Published: November 2021

Background

Maternal hyperglycemia, periodontitis, and adverse gestational outcomes are important health problems. The present study investigated the hypothesis that periodontitis and the glycemic level of mothers may have opposing influences on birth weight (BW). This study evaluated the effect of high glycemic levels, albeit within the normal range, on the association between periodontitis and low birth weight (LBW).

Methods

A total of 732 women took part in this case‐control study; 172 were mothers of children with LBW <2,500 g, and 560 were mothers of children with BW ≥2,500 g. The BW of newborns was obtained from medical records, and information on socioeconomic‐demographic, lifestyle behavior were obtained through interviews. Glycated hemoglobin (HbA1c) levels were evaluated, and full‐mouth periodontal examination was carried out within 7 days postpartum. Hierarchical and logistic regression analysis evaluated the effect of glycemic levels on the association between periodontitis and LBW by subgroups, estimating odds ratios (OR) with 95% confidence intervals (95% CI).

Results

In the group with HbA1c levels <5.6%, a statistically significant relationship existed between periodontitis and LBW. Using the Centre for Disease Control/American Academy of Periodontics criteria, the ORadjusted was 1.55; 95% CI: 1.04 to 2.31; using the Gomes‐Filho et al. criteria the ORadjusted was 1.91; 95% CI, 1.06 to 3.45. In the group with higher HbA1c levels but still within the normal range (≥5.6% and <6.5%), the findings showed no association between periodontitis and LBW.

Conclusion

Higher maternal glycemic levels within the normal range, inferior to those indicative of gestational diabetes, diabetes mellitus, or hyperglycemia, and periodontitis have opposing effects on BW, altering the association magnitude.
Life cycle assessment of animal‐based foods and plant‐based protein‐rich alternatives: a socio‐economic perspective
Authors: Varela‐Ortega Consuelo , Blanco‐Gutiérrez Irene , Manners Rhys , Detzel Andreas
Published: November 2021

BACKGROUND

Extensive research shows that replacing animal protein with plant‐based protein in the diet would strongly alleviate the environmental impact of the food system. However, much less attention has been given to the socio‐economic considerations of dietary transitions. This study analyses the socio‐economic performance of innovative legume‐based food prototypes, developed in the Protein2Food research project, and conventional animal‐based products (chicken meat and dairy milk). We implement a social life cycle assessment (sLCA) to quantify and compare their potential socio‐economic impacts along the entire life cycle.

RESULTS

Findings from this analysis show that legume‐based prototypes and their respective animal‐based counterparts have, overall, a comparable socio‐economic performance. Looking at the disaggregated life cycle stages, socio‐economic hotspots (points of most negative impacts) were mainly identified at the production stage in legume‐based products. Farm‐level net margin and profitability are low when compared with their animal equivalents. However, at the processing stage, there are socio‐economic gains for plant‐based products regarding lower unemployment rates. Finally, at the consumption stage, there are mixed results. Plant‐based products show worse protein affordability but better nutritional contents (lower saturated fat and cholesterol) than their animal counterparts.

CONCLUSIONS

To improve socio‐economic performance of legume‐based foods, greater emphasis should be placed upon developing improved processing technologies and supply chains. This would broaden the supply of sustainable protein‐rich food options and make these products more economically attractive. The research illustrates that policies should be targeted to the different stages of the food value chain to optimize the development of innovative plant‐based foods. © 2021 The Authors. Journal of The Science of Food and Agriculture published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Valorization of bio‐waste eggshell as a viable source of dietary calcium for confectionery products
Authors: Pokorski Patryk , Hoffmann Monika
Published: November 2021

BACKGROUND

The market of innovative foods is developing very dynamically and consumers are paying increasingly more attention to the health properties of the food offered. In addition, many studies on food consumption indicate a deficiency of minerals in the diet and experts suggest that the consumption of fortified functional foods in a selected group of consumers may contribute to the improvement of their health and quality of life.

RESULTS

The aim of the work was to present the possibility of using bio‐waste eggshell as a source of calcium in designing confectionery products. A snack with high calcium (0.567 g Ca kg−1 of product) and fiber (11.44 g kg−1 of product) content and potentially high calcium bioavailability was prepared. The results of the sensory expert‐based assessment indicate a high (6–7 conventional units) overall sensory quality (OSQ) of the four flavor versions of the product during up to 3 months storage. In order to accurately illustrate the effect of storage time on the quality of the samples, texture analysis was carried out and the presented results indicate low correlations (r = −0.5554; r = −0.1494) between instrumentally measured hardness and sensory attribute of crispness, as well as hardness and OSQ, respectively.

CONCLUSION

It is possible to reuse bio‐waste eggshells as a calcium‐fortifying substance for food design. The addition of powdered eggshells to food is an interesting direction, both for nutritional reasons (high concentration of calcium and optimal bioavailability) and also for environmental protection (reduction of post‐production waste). © 2021 Society of Chemical Industry.
Enrichment of tetracycline residues from honey samples using carrier‐mediated hollow fibre liquid‐phase micro‐extraction and quantification by LC‐Q‐TOF/MS
Authors: Moyo Babra , Tavengwa Nikita T
Published: November 2021

BACKGROUND

In this study, development and validation of a simple, miniaturized and, environmentally friendly carrier‐mediated three‐phase hollow‐fibre liquid‐phase micro‐extraction (HFLPME) technique was investigated for the enrichment of tetracycline residues in honey samples. The extracts were analysed using UV–visible spectrophotometry and liquid chromatography–quadrupole time‐of‐flight mass spectrometry (LC‐Q‐TOF/MS). Parameters affecting the extraction efficiency of HFLPME such as pH of the donor and acceptor solutions, salt addition, agitation speed and extraction time were optimized.

RESULTS

The calibration curves showed good linearity, in the range of 1–100 μg kg−1 with correlation coefficients ranging between 0.9943 and 0.9992, under the optimized conditions. Recoveries of blank honey samples at three spiking levels (1, 10 and 20 μg kg−1) ranged from 81.2% to 107.5%. Relative standard deviations for the precision of the method were less than 15.0%. Limits of detection and limits of quantification were in the range of 0.0861–0.2628 μg kg−1 and 0.2610–0.7964 μg kg−1, respectively. Finally, the proposed method was successfully applied in the extraction of five tetracyclines from honey samples. Doxycycline residue detected in one of the commercial honey samples was below the limit of quantification.

CONCLUSION

Because of the advantages offered by HFLPME, this method can be employed as an alternative to conventional extraction techniques for the clean‐up and pre‐concentration of antibiotics in complex matrices, including food samples. © 2021 Society of Chemical Industry
Computing Z‐Score Equations for Clinical Use to Measure Fetal Umbilical Vein Size and Flow Using Six Independent Variables of Age and Size
Authors: DeVore Greggory R. , Epstein Aaron
Published: November 2021

Introduction

Measurements of the umbilical vein diameter (UVD) and blood flow (mL/min) (UVF) have been demonstrated to be decreased in fetuses with growth restriction (FGR) using gestational age (GA) as the independent variable. However, no previous studies have used the biparietal diameter (BPD), head circumference (HC), abdominal circumference (AC), femur length (FL), and the estimated fetal weight (EFW) to create equations to be used for z‐score computations when evaluating fetuses at risk foran abnormal UVD and UVF.

Methods

Two hundred and forty normal fetuses between 20 and 40 weeks of gestation were examined in which the UVD and time averaged maximal velocity (TAMX) were measured from which the UVF, UVF/HC, UVF/AC, and UVF/kg were computed. Fractional polynomial regression analysis was used to compute z‐score equations using the above independent variables. Thirty‐six fetuses with abnormal growth of the AC were examined to test the validity of the equations.

Results

The UVD, TAMX, UVF, UVF/HC, and UVF/AC all increased with gestatonal age and fetal growth except for the UVF/kg, which decreased with age and growth. From the regression equations, two z‐score calculators were created using an Excel spreadsheet that can be used in clinical practice. Abnormal measurements of the UVD, UVF, UVF/HC, UVF/AC, and UVF/kg were observed in the 36 study fetuses, 21 with an AC < 10th centile and 15 with an AC > 90th centile.

Conclusion

Using the equations generated from this study and the z‐score calculators provides a clinical tool to measure the size and flow of the umbilical vein that may have clinical implications.
Ultrasound for the Objective Measurement of Breast Lymphedema
Authors: Kerrigan Colleen B. , Ahern Thomas P. , Brennan Sara K. , Kurchena Kathryn C. , Nelson Carl J. , Sowden Michelle M.
Published: November 2021

Objectives

Breast lymphedema has supplanted upper extremity lymphedema as a common and debilitating sequela of breast cancer treatment, but has no objective measurement. We assessed the utility of ultrasound‐measured difference in dermal thickness between affected and unaffected breasts as a measure of breast lymphedema. We associated this measure with patient characteristics, treatment parameters, and patient‐reported impact on quality of life.

Methods

We enrolled 30 invasive breast carcinoma patients treated with breast‐conserving surgery, sentinel lymph node biopsy, and radiotherapy, and 10 control patients evaluated for benign breast conditions without prior breast surgery or radiotherapy. Patient and treatment variables were ascertained from medical records and radiotherapy instruments. Impacts on quality of life were measured with a modified Disability of the Arm, Shoulder, and Hand questionnaire. We characterized breast lymphedema by calculating the difference in ultrasound‐measured dermal thickness between affected and unaffected breasts. Associations with patient characteristics, treatment, and quality of life were quantified with log‐binomial regression models.

Results

Breast lymphedema was defined as a dermal thickness difference of >0.3 mm. Nineteen patients in the invasive group (63%) had breast lymphedema by this definition. We observed positive associations between ultrasound‐defined breast lymphedema and surgical factors (size of primary tumor, number of lymph nodes removed), radiotherapy factors (breast volume irradiated, receipt of radiation boost), and patient‐reported outcomes (sleep quality and overall confidence).

Conclusions

Difference in dermal thickness is an easy and inexpensive measurement for quantifying breast lymphedema, and correlates with treatment parameters and patient‐reported impacts on quality of life.
Assembly of pH‐Responsive Antibody‐Drug‐Inspired Conjugates
Authors: Raabe Marco , Heck Astrid Johanna , Führer Siska , Schauenburg Dominik , Pieszka Michaela , Wang Tao , Zegota Maksymilian Marek , Nuhn Lutz , Ng David Y. W. , Kuan Seah Ling , Weil Tanja
Published: November 2021

With the advent of chemical strategies that allow the design of smart bioconjugates, peptide‐ and protein‐drug conjugates are emerging as highly efficient therapeutics to overcome limitations of conventional treatment, as exemplified by antibody‐drug conjugates (ADCs). While targeting peptides serve similar roles as antibodies to recognize overexpressed receptors on diseased cell surfaces, peptide‐drug conjugates suffer from poor stability and bioavailability due to their low molecular weights. Through a combination of a supramolecular protein‐based assembly platform and a pH‐responsive linker, the authors devise herein the convenient assembly of a trivalent protein‐drug conjugate. The conjugate should ideally possess distinct features of ADCs such as 1) recognition sites that recognize cell receptor and are arranged on 2) distinct locations on a high molecular weight protein scaffold, 3) a stimuli‐responsive linker, as well as 4) an attached payload such as a drug molecule. These AD‐like conjugates target cancer cells that overexpress somatostatin receptors, can enable controlled release in the microenvironment of cancer cells through a new pH‐responsive biotin linker, and exhibit stability in biological media.
Effect of Bulky Atom Substitution on Backbone Coplanarity and Electrical Properties of Cyclopentadithiophene‐Based Semiconducting Polymers
Authors: Park Sohee , Kim Yejin , Choi Changwon , Ahn Hyungju , Park Taemin , Lee Seoung Ho , Jang Yun Hee , Lee Byoung Hoon
Published: November 2021

The effect of atomic substitution on the optoelectronic properties of a coplanar donor–acceptor (D–A) semiconducting polymer (SPs), prepared using cyclopentadithiophene (CDT) and 2,1,3‐benzothiadiazole (BT) moieties, is investigated. By substituting a carbon atom in the BT unit with CF or C–Cl, two random D–A SPs are prepared, and their optoelectronic properties are thoroughly investigated. Density functional theory calculations demonstrate that the fluorinated polymer has a slightly smaller dihedral angle (ϴ = 0.6°) than the pristine polymer (ϴ = 1.9°) in its lowest‐energy conformation, implying efficient charge transport through the coplanar backbone of the fluorinated polymer. However, the chlorinated polymer shows the lowest energy at a relatively larger dihedral angle (ϴ = 139°) due to the steric hindrance induced by bulky chlorine atoms in the backbone, thereby leading to thin‐film morphology, which is unfavorable for charge transport. Consequently, the fluorinated polymer yields the highest field‐effect mobility (μ) of 0.57 cm2 V−1 s−1, slightly higher than that of the pristine polymer (μ = 0.33 cm2 V−1 s−1), and the extended device lifetime of organic field‐effect transistors over 12 d without any encapsulation layers. The results of this study provide design guidelines for air‐stable D–A SPs.
CDK4/6 inhibitors: A potential therapeutic approach for triple negative breast cancer
Authors: Saleh Lubaid , Wilson Caroline , Holen Ingunn
Published: November 2021

Triple negative breast cancer (TNBC) cells lack expression of the estrogen receptor (ER), progesterone receptor (PR), and human epidermal growth factor receptor‐2 (HER‐2). Thus, TNBC does not respond to hormone‐based therapy. TNBC is also an aggressive subtype associated with poorer prognoses compared to other breast cancers. Conventional chemotherapeutics are used to manage TNBC although systemic relapse is common with limited benefits being reported as well as adverse events being documented. Here, we discuss current therapies for TNBC in the neo‐ and adjuvant settings, as well as recent advancements in the targeting of PD‐L1‐positive tumors and inclusion of PARP inhibitors for TNBC patients with BRCA mutations. The recent development of cyclin‐dependent kinase (CDK) 4/6 inhibitors in ER‐positive breast cancers has demonstrated significant improvements in progression free survival in patients. Here, we review preclinical data of CDK 4/6 inhibitors and describe current clinical trials assessing these in TNBC disease.
Women's perceptions of provider communication on birth options after cesarean: A qualitative study
Authors: Mirabal‐Beltran Roxanne , Hawks‐Cuellar Michelle , Powell Terrinieka W. , Strobino Donna M.
Published: November 2021

In the United States, Hispanic and non‐Hispanic Black women are more likely to have a repeat cesarean birth (RCB) than non‐Hispanic White women. The underrepresentation of Hispanic women and women with previous cesarean births in prior studies has resulted in a limited understanding of the reasons for this disparity. This study used in‐depth interviews to investigate the perceptions of 27 Hispanic and non‐Hispanic Black and White women about the communication that took place with their providers about their birth options after a previous cesarean. The roles of cultural norms and trust in providers in communication about RCBs were also explored. Results suggest that patient–provider communication and trust of providers for Hispanic and non‐Hispanic Black and White women may influence their perception of choice, uptake of information, and ability to make an informed choice regarding birth options. Findings have implications for providers and healthcare management systems who need to account for and attempt to address these differences as they directly affect women's birth outcomes.
Zn‐Induced Interactions Between SARS‐CoV‐2 orf7a and BST2/Tetherin
Authors: Petrosino Maria , Stellato Francesco , Chiaraluce Roberta , Consalvi Valerio , La Penna Giovanni , Pasquo Alessandra , Proux Olivier , Rossi Giancarlo , Morante Silvia
Published: November 2021

We present in this work a first X‐ray Absorption Spectroscopy study of the interactions of Zn with human BST2/tetherin and SARS‐CoV‐2 orf7a proteins as well as with some of their complexes. The analysis of the XANES region of the measured spectra shows that Zn binds to BST2, as well as to orf7a, thus resulting in the formation of BST2‐orf7a complexes. This structural information confirms the the conjecture, recently put forward by some of the present Authors, according to which the accessory orf7a (and possibly also orf8) viral protein are capable of interfering with the BST2 antiviral activity. Our explanation for this behavior is that, when BST2 gets in contact with Zn bound to the orf7a Cys15 ligand, it has the ability of displacing the metal owing to the creation of a new disulfide bridge across the two proteins. The formation of this BST2‐orf7a complex destabilizes BST2 dimerization, thus impairing the antiviral activity of the latter.
Utility of expanded carrier screening in pregnancies with ultrasound abnormalities
Authors: Stevens Blair K. , Nunley Peyton B. , Wagner Chelsea , Murphy Lauren , Wittman Theresa , Ramdaney Aarti , Jones Malorie , Choates Meagan Giles
Published: November 2021

Objective

Explore the utility of expanded carrier screening in evaluating heritable causes of congenital anomalies detected by prenatal ultrasound.

Method

A retrospective chart review was conducted to collect structural abnormality and genetic testing data on infants who were evaluated postnatally by a medical geneticist. These were used to determine if expanded carrier screening could have determined the etiology prior to delivery. Additionally, recessive and X‐linked conditions on clinically available carrier screening panels were evaluated to determine the number of conditions associated with abnormal ultrasound findings.

Results

Our retrospective chart review found 222 patients with genetic etiologies, including eight unique autosomal recessive conditions and six X‐linked conditions in the 23% who underwent exome sequencing. Of these 14 unique conditions detected, three were included on a list of 271 conditions for which screening was available in 2019 and five were included on a 500 condition panel available in 2020. A literature review was performed on the list of 271 conditions and 88 were reported to be associated with one or more ultrasound abnormalities.

Conclusion

This study demonstrates limited but potential utility for expanded carrier screening to determine the underlying etiology of congenital anomalies.
Population pharmacokinetic modeling of GS‐441524, the active metabolite of remdesivir, in Japanese COVID‐19 patients with renal dysfunction
Authors: Sukeishi Asami , Itohara Kotaro , Yonezawa Atsushi , Sato Yuki , Matsumura Katsuyuki , Katada Yoshiki , Nakagawa Takayuki , Hamada Satoshi , Tanabe Naoya , Imoto Eishi , Kai Shinichi , Hirai Toyohiro , Yanagita Motoko , Ohtsuru Shigeru , Terada Tomohiro , Ito Isao
Published: November 2021

Remdesivir, a prodrug of the nucleoside analog GS‐441524, plays a key role in the treatment of coronavirus disease 2019 (COVID‐19). However, owing to limited information on clinical trials and inexperienced clinical use, there is a lack of pharmacokinetic (PK) data in patients with COVID‐19 with special characteristics. In this study, we aimed to measure serum GS‐441524 concentrations and develop a population PK (PopPK) model. Remdesivir was administered at a 200 mg loading dose on the first day followed by 100 mg from day 2, based on the package insert, in patients with an estimated glomerular filtration rate (eGFR) greater than or equal to 30 ml/min. In total, 190 concentrations from 37 Japanese patients were used in the analysis. The GS‐441524 trough concentrations were significantly higher in the eGFR less than 60 ml/min group than in the eGFR greater than or equal to 60 ml/min group. Extracorporeal membrane oxygenation in four patients hardly affected the total body clearance (CL) and volume of distribution (Vd) of GS‐441524. A one‐compartment model described serum GS‐441524 concentration data. The CL and Vd of GS‐441524 were significantly affected by eGFR readjusted by individual body surface area and age, respectively. Simulations proposed a dose regimen of 200 mg on day 1 followed by 100 mg once every 2 days from day 2 in patients with an eGFR of 30 ml/min or less. In conclusion, we successfully established a PopPK model of GS‐441524 using retrospectively obtained serum GS‐441524 concentrations in Japanese patients with COVID‐19, which would be helpful for optimal individualized therapy of remdesivir.
Intrinsic Planar Defects in Germanium and Their Contribution to the Excess Specific Heat at High Temperatures
Authors: Kondrin Mikhail , Lebed Yulia , Brazhkin Vadim
Published: November 2021

Excessively high specific heat is usually observed in solids at comparatively high temperatures. It is believed to be associated with anharmonic effects. Using the simple case of elemental germanium with archetypical diamond structure, it is demonstrated that the anharmonicity effect can not fully describe the excess specific heat in germanium. Instead, two types of extended planar defects with a record low formation energy () are proposed, which can account for the discrepancy between theoretical and observed specific heat. These planar defects can be considered as finite distortion of crystal lattice produced by shear phonon modes accompanied by specific reconstruction of interatomic bonds on certain atomic planes. By comparison of experimental and theoretical specific heat, it is found that the germanium sample is subdivided into domains with intrinsic planar defects aligned along a single crystallographic direction.
Sediment regimes in South Korea
Authors: Yang Chun‐Yao , Kang Woochul , Lee Jai Hong , Julien Pierre Y.
Published: November 2021

A comprehensive review of the existing river flow and sediment measurement data of South Korea shows specific sediment yield values ranging from 5 to 1,500 tons/km2·year. The watershed characteristics decisively affect the shape of mass curves for water and sediment, as well as the flow duration and sediment rating curves. In terms of flow regime, small watersheds have flashy hydrographs and high sediment concentrations at a given flow discharge. The sediment rating curve coefficients decrease from 1 to 0.02 as the watershed area increases from 100 to 20,000 km2, while the exponents of these curves remain relatively constant between 1.5 and 2.0. The sediment transport in small watersheds depends on large floods, and the half‐yield discharge decreases with watershed area and typically ranges from 5 to 40 times the mean discharge. This study defines equations to calculate the mean annual flow discharge, flow duration curves, sediment yield, and cumulative water and sediment distribution curves validated with field measurements in South Korea. Additionally, the sediment regime is also presented in a continental perspective.
Design, Characterizations and Host‐Guest Properties of a New Metal‐Organic Cage Based on Half‐Sandwich Rhodium Moieties
Authors: Luo Shi‐Ting , Qiu Feng‐Yi , Shi Hua‐Tian , Yu Weibin
Published: November 2021

Despite recent efforts to advance host‐guest systems using discrete metal‐organic cages (MOCs) with non‐trivial topological geometries for molecular recognition, which is often mediated by non‐covalent interactions involving aromatic functional groups, the relative complexation of these so‐called π‐π interaction is still challenges of study, theory and modeling. Specifically, the ability of supramolecular interactions, for an example, π‐π stacking between guest substrates and MOCs as hosts, would easily control the host‐guest assemblies. By the assembly of host‐guest complexations with metal‐coordination driven strategy and π‐π interaction, here we show that the hierarchical combination of the newly metal‐organic cages with nanosized cavity (metallacage 1), which facilitates encapsulating guest molecules through supramolecular forces. Additionally, the electron‐donating (ED)/‐withdrawing (EW) functional groups of pyrene analogues, utilized as guest substrates, can enforce host‐guest assemblies with electron‐donor (D) and electron‐acceptor (A) interactions. We herein demonstrate that ED or EW group can promote host‐guest behaviors. By this new approach, we predict that the more stable host‐guest complexations will be accompanied by stronger D−A interactions. Three guest substrates, including 1‐hydroxypyrene, 1‐pyrenamine, and 1‐pyrenecarboxaldehyde, were chosen to systematically study this host‐guest system within 1, exhibiting well consistent with our hypothesis.
Direct Valorization of Furfural in Primary Alcohols Using Rare‐Earth Metal Salts
Authors: Wang Yufen , Liu Lei , He Liangtu , Wang Yantao , Yang Weiran
Published: November 2021

Direct valorization of furfural into alkyl levulinates and γ‐valerolactone in primary alcohols with rare‐earth metal catalysts via transfer hydrogenation was firstly reported. The effects of different rare‐earth metal salts and hydrogen donors, as well as reaction parameters on the conversion of furfural were evaluated. Under optimal conditions, ca. 74 % yield of ethyl levulinate was directly produced from furfural in ethanol with YI3 as the catalyst, and more than 60 % of γ‐valerolactone was yielded using YBr3. And intriguingly, it has been demonstrated that primary alcohols, such as ethanol, n‐propanol etc., have superior catalytic activity than secondary alcohol due to their multiple roles in the reaction. The present study provides a green, simple and efficient way for the valorization of biomass derived furfural.