bluuebunny/crossref_metadata_2025 huggingface dataset:
De novo design and directed folding of disulfide-bridged peptide heterodimers
Authors: Yao Sicong , Moyer Adam , Zheng Yiwu , Shen Yang , Meng Xiaoting , Yuan Chong , Zhao Yibing , Yao Hongwei , Baker David , Wu Chuanliu
Published: March 2022

Peptide heterodimers are prevalent in nature, which are not only functional macromolecules but molecular tools for chemical and synthetic biology. Computational methods have also been developed to design heterodimers of advanced functions. However, these peptide heterodimers are usually formed through noncovalent interactions, which are prone to dissociate and subject to concentration-dependent nonspecific aggregation. Heterodimers crosslinked with interchain disulfide bonds are more stable, but it represents a formidable challenge for both the computational design of heterodimers and the manipulation of disulfide pairing for heterodimer synthesis and applications. Here, we report the design, synthesis and application of interchain disulfide-bridged peptide heterodimers with mutual orthogonality by combining computational de novo designs with a directed disulfide pairing strategy. These heterodimers can be used as not only scaffolds for generating functional molecules but chemical tools or building blocks for protein labeling and construction of crosslinking hybrids. This study thus opens the door for using this unexplored dimeric structure space for many biological applications.
Impact of green clay authigenesis on element sequestration in marine settings
Authors: Baldermann Andre , Banerjee Santanu , Czuppon György , Dietzel Martin , Farkaš Juraj , Lӧhr Stefan , Moser Ulrike , Scheiblhofer Esther , Wright Nicky M. , Zack Thomas
Published: March 2022

Retrograde clay mineral reactions (reverse weathering), including glauconite formation, are first-order controls on element sequestration in marine sediments. Here, we report substantial element sequestration by glauconite formation in shallow marine settings from the Triassic to the Holocene, averaging 3 ± 2 mmol·cm−²·kyr−1 for K, Mg and Al, 16 ± 9 mmol·cm−²·kyr−1 for Si and 6 ± 3 mmol·cm−²·kyr−1 for Fe, which is ~2 orders of magnitude higher than estimates for deep-sea settings. Upscaling of glauconite abundances in shallow-water (0–200 m) environments predicts a present-day global uptake of ~≤ 0.1 Tmol·yr−1 of K, Mg and Al, and ~0.1–0.4 Tmol·yr−1 of Fe and Si, which is ~half of the estimated Mesozoic elemental flux. Clay mineral authigenesis had a large impact on the global marine element cycles throughout Earth’s history, in particular during ‘greenhouse’ periods with sea level highstand, and is key for better understanding past and present geochemical cycling in marine sediments.
Brain-wide projection reconstruction of single functionally defined neurons
Authors: Wang Meng , Liu Ke , Pan Junxia , Li Jialin , Sun Pei , Zhang Yongsheng , Li Longhui , Guo Wenyan , Xin Qianqian , Zhao Zhikai , Liu Yurong , Zhou Zhenqiao , Lyu Jing , Zheng Ting , Han Yunyun , Zhang Chunqing , Liao Xiang , Zeng Shaoqun , Jia Hongbo , Chen Xiaowei
Published: March 2022

Reconstructing axonal projections of single neurons at the whole-brain level is currently a converging goal of the neuroscience community that is fundamental for understanding the logic of information flow in the brain. Thousands of single neurons from different brain regions have recently been morphologically reconstructed, but the corresponding physiological functional features of these reconstructed neurons are unclear. By combining two-photon Ca2+ imaging with targeted single-cell plasmid electroporation, we reconstruct the brain-wide morphologies of single neurons that are defined by a sound-evoked response map in the auditory cortices (AUDs) of awake mice. Long-range interhemispheric projections can be reliably labelled via co-injection with an adeno-associated virus, which enables enhanced expression of indicator protein in the targeted neurons. Here we show that this method avoids the randomness and ambiguity of conventional methods of neuronal morphological reconstruction, offering an avenue for developing a precise one-to-one map of neuronal projection patterns and physiological functional features.
Identification of a protein responsible for the synthesis of archaeal membrane-spanning GDGT lipids
Authors: Zeng Zhirui , Chen Huahui , Yang Huan , Chen Yufei , Yang Wei , Feng Xi , Pei Hongye , Welander Paula V.
Published: March 2022

Glycerol dibiphytanyl glycerol tetraethers (GDGTs) are archaeal monolayer membrane lipids that can provide a competitive advantage in extreme environments. Here, we identify a radical SAM protein, tetraether synthase (Tes), that participates in the synthesis of GDGTs. Attempts to generate a tes-deleted mutant in Sulfolobus acidocaldarius were unsuccessful, suggesting that the gene is essential in this organism. Heterologous expression of tes homologues leads to production of GDGT and structurally related lipids in the methanogen Methanococcus maripaludis (which otherwise does not synthesize GDGTs and lacks a tes homolog, but produces a putative GDGT precursor, archaeol). Tes homologues are encoded in the genomes of many archaea, as well as in some bacteria, in which they might be involved in the synthesis of bacterial branched glycerol dialkyl glycerol tetraethers.
Phylotranscriptomic insights into a Mesoproterozoic–Neoproterozoic origin and early radiation of green seaweeds (Ulvophyceae)
Authors: Hou Zheng , Ma Xiaoya , Shi Xuan , Li Xi , Yang Lingxiao , Xiao Shuhai , De Clerck Olivier , Leliaert Frederik , Zhong Bojian
Published: March 2022

The Ulvophyceae, a major group of green algae, is of particular evolutionary interest because of its remarkable morphological and ecological diversity. Its phylogenetic relationships and diversification timeline, however, are still not fully resolved. In this study, using an extensive nuclear gene dataset, we apply coalescent- and concatenation-based approaches to reconstruct the phylogeny of the Ulvophyceae and to explore the sources of conflict in previous phylogenomic studies. The Ulvophyceae is recovered as a paraphyletic group, with the Bryopsidales being a sister group to the Chlorophyceae, and the remaining taxa forming a clade (Ulvophyceaesensu stricto). Molecular clock analyses with different calibration strategies emphasize the large impact of fossil calibrations, and indicate a Meso-Neoproterozoic origin of the Ulvophyceae (sensu stricto), earlier than previous estimates. The results imply that ulvophyceans may have had a profound influence on oceanic redox structures and global biogeochemical cycles at the Mesoproterozoic-Neoproterozoic transition.
Do current family history-based genetic testing guidelines contribute to breast cancer health inequities?
Authors: Jakuboski Samantha H. , McDonald Jasmine A. , Terry Mary Beth
Published: March 2022

Prior to the recommended age for population-based breast cancer screening by mammography, which ranges from 40−50 years depending on guidelines, the main way to identify higher risk women for earlier breast cancer (BC) screening to improve outcomes and discuss targeted chemoprevention is through specific clinical guidelines which are largely based on family history of breast cancer and known mutations in breast cancer susceptibility genes. The annual percent change (APC) in early-onset BC continues to rise, with the higher early-onset cancer burden and mortality continuing to be seen in non-Hispanic black (NHB) women compared to non-Hispanic white (NHW) women. Coupled with the increasing incidence overall as well as the lower percent of BC family history reported in NHB women compared with that of NHW women means that continued reliance on guidelines to identify women for genetic screening and initiation of early BC screening based largely on family history could lead to even greater BC health inequities. The similarity in the prevalence of mutations in key BC susceptibility genes between NHB and NHW women contrasts sharply to the differences in age-specific incidence rates between NHB and NHW women, supporting that there must be environmental modifiers that are contributing to the increased incidence in NHB women. This reality further argues for identifying NHB women early in adulthood through genetic testing who may benefit from tailored BC risk-reduction programs and early BC screening.
Van der Waals force-induced intralayer ferroelectric-to-antiferroelectric transition via interlayer sliding in bilayer group-IV monochalcogenides
Authors: Xu Bo , Deng Junkai , Ding Xiangdong , Sun Jun , Liu Jefferson Zhe
Published: March 2022

Two-dimensional materials with ferroelectric properties break the size effect of conventional ferroelectric materials and unlock unprecedented potentials of ferroelectric-related application at small length scales. Using first-principles calculations, a sliding-induced ferroelectric-to-antiferroelectric behavior in bilayer group-IV monochalcogenides (MX, with M = Ge, Sn and X = S, Se) is discovered. Upon this mechanism, the top layer exhibits a reversible intralayer ferroelectric switching, leading to a reversible transition between the ferroelectric and antiferroelectric states in the bilayer MXs. Further results show that the interlayer van der Waals interaction, which is usually considered to be weak, can actually generate an in-plane lattice distortion and thus cause the breaking/forming of intralayer covalent bonds in the top layer, leading to the observed anomalous phenomenon. This unique property has advantages for energy harvesting over existing piezoelectric and triboelectric nanogenerators. The interlayer sliding-induced big polarization change (40 μC cm−2) and ultrahigh polarization changing rate generate an open-circuit voltage two orders of magnitude higher than that of MoS2-based nanogenerators. The theoretical prediction of power output for this bilayer MXs at a moderate sliding speed 1 m s−1 is four orders of magnitude higher than the MoS2 nanogenerator, indicating great potentials in energy harvesting applications.
Estimated date of delivery with electronic medical records by a hybrid GBDT-GRU model
Authors: Wu Yina , Zhang Yichao , Zou Xu , Yuan Zhenming , Hu Wensheng , Lu Sha , Sun Xiaoyan , Wu Yingfei
Published: March 2022

An accurate estimated date of delivery (EDD) helps pregnant women make adequate preparations before delivery and avoid the panic of parturition. EDD is normally derived from some formulates or estimated by doctors based on last menstruation period and ultrasound examinations. This study attempted to combine antenatal examinations and electronic medical records to develop a hybrid model based on Gradient Boosting Decision Tree and Gated Recurrent Unit (GBDT-GRU). Besides exploring the features that affect the EDD, GBDT-GRU model obtained the results by dynamic prediction of different stages. The mean square error (MSE) and coefficient of determination (R2) were used to compare the performance among the different prediction methods. In addition, we evaluated predictive performances of different prediction models by comparing the proportion of pregnant women under the error of different days. Experimental results showed that the performance indexes of hybrid GBDT-GRU model outperformed other prediction methods because it focuses on analyzing the time-series predictors of pregnancy. The results of this study are helpful for the development of guidelines for clinical delivery treatments, as it can assist clinicians in making correct decisions during obstetric examinations.
Comparison of GentleWave system and passive ultrasonic irrigation with minimally invasive and conventional instrumentation against LPS in infected root canals
Authors: Velardi Johnathan P. , Alquria Theeb A. , Alfirdous Rayyan A. , Corazza Bruna J. M. , Gomes Ana P. M. , Silva Eduardo G. , Griffin Ina L. , Tordik Patricia A. , Martinho Frederico C.
Published: March 2022

This study compared the effectiveness of GentleWave system (GWS) and passive ultrasonic irrigation (PUI) in removing lipopolysaccharides (LPS) from infected root canals after minimally invasive (MIT) and conventional instrumentation (CIT) techniques. Sixty first premolars with two roots were inoculated with fluorescent LPS conjugate (Alexa Fluor 594). Of those, twelve were dentin pretreated, inoculated with fluorescent LPS conjugate, and submitted to confocal laser scanning microscopy (CLSM) to validate the LPS-infection model. Forty-eight teeth were randomly divided into treatment groups: GWS + MIT, GWS + CIT, PUI + MIT, and PUI + CIT (all, n = 12). Teeth were instrumented with Vortex Blue rotary file size 15/0.04 for MIT and 35/0.04 for CIT. Samples were collected before (s1) and after a root canal procedure (s2) and after cryogenically ground the teeth (s3) for intraradicular LPS analysis. LPS were quantified with LAL assay (KQCL test). GWS + MIT and GWS + CIT were the most effective protocols against LPS, with no difference between them (p > 0.05). PUI + CIT was more effective than PUI + MIT (p < 0.05) but less effective than GWS + MIT and GWS + CIT. GWS was the most effective protocol against LPS in infected root canals using MIT and CIT techniques.
Determinants of misuse of antibiotics among parents of children attending clinics in regional referral hospitals in Tanzania
Authors: Mutagonda Ritah F. , Marealle Alphonce I. , Nkinda Lilian , Kibwana Upendo , Maganda Betty A. , Njiro Belinda J. , Ndumwa Harrieth P. , Kilonzi Manase , Mikomangwa Wigilya P. , Mlyuka Hamu J. , Felix Fatuma F. , Myemba David T. , Mwakawanga Dorkasi L. , Sambayi Godfrey , Kunambi Peter P. , Ndayishimiye Pacifique , Sirili Nathanael , Mfaume Rashid , Nshau Arapha , Nyankesha Elevanie , Scherpbier Robert , Bwire George M.
Published: March 2022

Parents are the important implementers on appropriate/inappropriate use of antibiotics, especially in the pediatric population. Limited studies have associated poor knowledge, attitude, and practice (KAP) among parents with antibiotics misuse. Therefore, this study was conducted to determine the parents’ KAP and factors associated with inappropriate use of antibiotics among Tanzanian children. A hospital-based cross-sectional study was conducted in 14 regional referral hospitals (RRHs) in Tanzania between June and September 2020. KAP was estimated using a Likert scale, whereas KAP factors were determined using logistic regression models. A total of 2802 parents were enrolled in the study. The median age (interquartile range) of parents was 30.0 (25–36) years where 82.4% (n = 2305) were female parents. The majority of the parents had primary education, 56.1% (n = 1567). Of 2802 parents, only 10.9% (n = 298) had good knowledge about antibiotics, 16.4% (n = 455) had positive attitude whereas 82.0% (n = 2275) had poor practice on the appropriate use of antibiotics. Parents' education level, i.e., having a university degree (aOR: 3.27 95% CI 1.62–6.63, p = 0.001), good knowledge (aOR: 1.70, 95% CI 1.19–2.23, p = 0.003) and positive attitudes (aOR: 5.56, 95% CI 4.09–7.56, p < 0.001) were significantly associated with the appropriate use of antibiotics in children. Most parents had poor knowledge, negative attitude, and poor practice towards antibiotics use in children. Parents’ education level, employment status, knowledge on antibiotic use, and good attitude contributed to the appropriate use of antibiotics in children attending clinics at RRHs.
LMS parameters, percentile, and Z-score growth curves for axial length in Chinese schoolchildren in Wuhan
Authors: Sanz Diez Pablo , Yang Li-Hua , Lu Mei-Xia , Kiess Wieland , Wahl Siegfried
Published: March 2022

Understanding the ocular structural changes are fundamental to defining strategies for myopia prevention and management. This study aimed to establish age-gender specific normative LMS parameters for axial length to generate percentile and Z-score growth curves in a population of Chinese schoolchildren. A total of 14,760 individuals aged 6 to 15 years from Wuhan, central China, contributed to this study. The LMS method was used for the calculation of LMS parameters and the generation of percentile and Z-score growth curves for axial length. Growth curves derived from the LMS parameters were compared with those originally calculated. Axial elongation was age- and percentile-dependent. The highest elongation rate occurred at the 98th percentile in the range 6 to 9 years, being up to 1.46 mm in boys and 1.42 mm in girls. The largest differences between original and newly generated growth curves were detected at the 98th percentile at age 15; 0.78 mm (females) and 0.63 mm (males). Multinomial logistic regression and receiver operating characteristic analyses revealed Z-scores as a good predictor for estimating high myopia development. The axial length growth curves presented in this study provide a technically solid instrument that depicts the best description of physiological eye growth for Chinese schoolchildren aged 6 to 15 years.
The ideal habitat for leaf-cutting ant queens to build their nests
Authors: Sousa Kátia K. A. , Camargo Roberto S. , Caldato Nadia , Farias Adriano P. , Calca Marcus V. C. , Dal Pai Alexandre , Matos Carlos A. O. , Zanuncio José C. , Santos Isabel C. L. , Forti Luiz C.
Published: March 2022

Queens of Atta sexdens Forel (Hymenoptera: Formicidae) face biotic and abiotic environmental factors in the environment while establishing their nests. Biotic factors such as predation, microbial pathogens, successful symbiotic fungus regurgitation, excavation effort and abiotic factors such as radiant sunlight, temperature, density, and soil moisture exert selection pressures on ant queens. Biotic factors such as temperature and solar irradiation affect the survival of the initial colony differently, in different environments in the field. Queens of the leaf-cutting ant A. sexdens, were installed in sunny and shaded conditions to test this hypothesis. Two hundred A. sexdens queens were collected and individualized in two experimental areas (sunny and shaded), each in an experimental area (25 m2) in the center of a square (50 × 50 cm). Temperature, irradiance, nest depth, rainfall and queen mortality were evaluated. Atta sexdens colony development was better in the shaded environment, and the depth and volume of the initial chamber, fungus garden biomass and number of eggs, larvae, pupae and workers were greater. The queen masses were similar in both environments but mortality was higher in the sunny environment. The worse parameter values for A. sexdens nests in the sunny environment are due to the greater solar irradiance, increasing the variation range of the internal temperature of the initial chamber of the nest. On the other hand, the more stable internal temperature of this chamber in the shaded environment, is due to the lower incidence of solar irradiance, which is also more advantageous for queen survival and the formation and development of A. sexdens colonies. Shaded environments are a better micro habitat for nesting A. sexdens than sunny ones.
A hierarchical Bayesian entry time realignment method to study the long-term natural history of diseases
Authors: Shen Liangbo L. , Del Priore Lucian V. , Warren Joshua L.
Published: March 2022

A major question in clinical science is how to study the natural course of a chronic disease from inception to end, which is challenging because it is impractical to follow patients over decades. Here, we developed BETR (Bayesian entry time realignment), a hierarchical Bayesian method for investigating the long-term natural history of diseases using data from patients followed over short durations. A simulation study shows that BETR outperforms an existing method that ignores patient-level variation in progression rates. BETR, when combined with a common Bayesian model comparison tool, can identify the correct disease progression function nearly 100% of the time, with high accuracy in estimating the individual disease durations and progression rates. Application of BETR in patients with geographic atrophy, a disease with a known natural history model, shows that it can identify the correct disease progression model. Applying BETR in patients with Huntington’s disease demonstrates that the progression of motor symptoms follows a second order function over approximately 20 years.
In vivo imaging with two-photon microscopy to assess the tumor-selective binding of an anti-CD137 switch antibody
Authors: Kaneko Chisato , Tsutsui Haruka , Ozeki Kazuhisa , Honda Masaki , Haraya Kenta , Narita Yoshinori , Kamata-Sakurai Mika , Kikuta Junichi , Tabo Mitsuyasu , Ishii Masaru
Published: March 2022

STA551, a novel anti-CD137 switch antibody, binds to CD137 in an extracellular ATP concentration-dependent manner. Although STA551 is assumed to show higher target binding in tumor tissues than in normal tissues, quantitative detection of the target binding of the switch antibody in vivo is technically challenging. In this study, we investigated the target binding of STA551 in vivo using intravital imaging with two-photon microscopy. Tumor-bearing human CD137 knock-in mice were intravenously administered fluorescently labeled antibodies. Flow cytometry analysis of antibody-binding cells and intravital imaging using two-photon microscopy were conducted. Higher CD137 expression in tumor than in spleen tissues was detected by flow cytometry analysis, and T cells and NK cells were the major CD137-expressing cells. In the intravital imaging experiment, conventional and switch anti-CD137 antibodies showed binding in tumors. However, in the spleen, the fluorescence of the switch antibody was much weaker than that of the conventional anti-CD137 antibody and comparable with that of the isotype control. In conclusion, we were able to assess switch antibody biodistribution in vivo through intravital imaging with two-photon microscopy. These results suggest that the tumor-selective binding of STA551 leads to a wide therapeutic window and potent antitumor efficacy without systemic immune activation.
Antioxidant, antifungal, and aphicidal activity of the triterpenoids spinasterol and 22,23-dihydrospinasterol from leaves of Citrullus colocynthis L.
Authors: Ahmed Maqsood , Sajid Allah Rakha , Javeed Ansar , Aslam Muhammad , Ahsan Taswar , Hussain Dilbar , Mateen Abdul , Li Xiuwei , Qin Peiwen , Ji Mingshan
Published: March 2022

Terpenoids from natural plant sources are valuable for their diverse biological activities that have important roles in the medical and agrochemical industries. In this study, we assessed the antioxidant, antifungal, and aphicidal activities of a mixture of spinasterol and 22,23-dihydrospinasterol from the leaves of Citrullus colocynthis. We used 1,1-diphenyl-2-picrylhydrazyl (DPPH) to assess antioxidant activity, and we measured antifungal activity using mycelium growth inhibition assays with three pathogenic fungi, Magnaporthe grisea, Rhizoctonia solani, and Phytophthora infestans. Aphicidal activity against adults of Myzus persicae was determined using in vitro and in vivo assays. Spinasterol and 22,23-dihydrospinasterol exhibited moderate antioxidant activity, even at lower concentrations: 19.98% at 0.78 µg mL−1, 31.52% at 3.0 µg mL−1, 36.61% at 12.5 µg mL−1, and 49.76% at 50 µg mL−1. Spinasterol and 22,23-dihydrospinasterol showed reasonable levels of fungicidal activity toward R. solani and M. grisea, with EC50 values of 129.5 and 206.1 µg mL−1, respectively. The positive controls boscalid and carbendazim were highly effective against all fungi except boscalid for M. grisea (EC50 = 868 µg mL−1) and carbendazim for P. infestans (EC50 = 8721 µg mL−1). Significant insecticidal activity was observed in both residual and greenhouse assays, with LC50 values of 42.46, 54.86, and 180.9 µg mL−1 and 32.71, 42.46, and 173.8 µg mL−1 at 72, 48, and 24 h, respectively. The antioxidant activity of spinasterol and 22,23-dihydrospinasterol was strongly positively correlated with their antifungal and insecticidal activity. Spinasterol and 22,23-dihydrospinasterol therefore show good antioxidant and aphicidal activity with moderate fungicidal activity, making them suitable candidates for an alternative to synthetic agents.
Common ground type five level inverter with voltage boosting for PV applications
Authors: Sathik M. Jagabar , Almakhles Dhafer J.
Published: March 2022

The boost-switched capacitor inverter topology with reduced leakage current is highly suitable for distributed photovoltaic power generation with a transformerless structure. This paper presents a single-stage 5-level (5L) transformerless inverter with common ground (CG) topology for single-phase grid-connected photovoltaic application. A generalized version of the proposed topology is also presented. The proposed topologies are derived by combining the dc/dc boost converter and switched capacitor cell. The primary focus has been given to the 5L version of the proposed topology. The number of switch counts is reduced, the maximum voltage gain is four times, and the inrush current is suppressed due to the input inductor configuration. Also, the voltages across the switched capacitors (SCs) are self-balanced. The negative source terminal and the load are connected directly to suppress the leakage current. It is thoroughly compared with other recent CG-Type topologies to attest to the advantages of the proposed topology. The laboratory prototype is developed for 600 W with the maximum efficiency is 94.21%, and the maximum source current is not more than 25A. Further, the operation of the proposed topology is verified under dynamic loading conditions, and the results are presented.
BMI, sex and outcomes in hospitalised patients in western Sweden during the COVID-19 pandemic
Authors: Lindgren Martin , Toska Triantafyllia , Alex Christian , Lundberg Christina E. , Cronie Ottmar , Rosengren Annika , Adiels Martin , Sjöland Helen
Published: March 2022

High body mass index (BMI) is associated with severe COVID-19 but findings regarding the need of intensive care (IC) and mortality are mixed. Using electronic health records, we identified all patients in western Sweden hospitalised with COVID-19 to evaluate 30-day mortality or assignment to IC. Adjusted logistic regression models were used to estimate odds ratios (OR) and 95% confidence intervals (CI) for outcomes. Of totally 9761 patients, BMI was available in 7325 (75%), included in the study. There was a marked inverse association between BMI and age (underweight and normal weight patients were on average 78 and 75 years, whereas overweight and obese were 68 and 62 years). While older age, male sex and several comorbidities associated with higher mortality after multivariable adjustment, BMI did not. However, BMI ≥ 30 kg/m2 (OR 1.46, 95% CI 1.21–1.75) was associated with need of IC; this association was restricted to women (BMI ≥ 30; OR 1.96 (95% CI 1.41–2.73), and not significant in men; OR 1.22 (95% CI 0.97–1.54). In this comprehensive hospital population with COVID-19, BMI was not associated with 30-day mortality risk. Among the obese, women, but not men, had a higher risk of assignment to IC.
Subcutaneous pedicled propeller flap for reconstructing the large eyelid defect due to excision of malignancies or trauma
Authors: Wang Xiao-Ni , Tang Yu-Xi , Guo Tao , Hu Hai-Dong , Ma Qiang , Yu Bao-Fu , Zhao Xiang-Dong
Published: March 2022

Large eyelid defect after excision of malignancies or trauma is difficult to reconstruct due to special structure and function of the eyelid. In this study, we aimed to present the outcomes of subcutaneous pedicled propeller flap for reconstructing the large eyelid defect after excision of malignancies or trauma. A retrospective review of patients diagnosed with eyelid defect due to excision of malignancies or trauma, and undergoing subcutaneous pedicled propeller flap for reconstructing the large eyelid defect, was conducted at our hospital. The clinical data were collected and analyzed. A total of 15 patients were included in the cases series. Nine patients were diagnosed with basal cell carcinoma, 3 patients with epidermoid carcinoma, and 3 patients with trauma. All the defects were successfully covered with this designed flap. There was no flap necrosis in all the cases. No functional problems were observed in all of the cases. At long-term postoperative follow-up, the average score of patients’ satisfaction was good. This subcutaneous pedicled propeller flap is a feasible alternative technique for reconstructing the large eyelid defect after excision of malignancies or trauma. This flap option could avoid the use of free flaps for large defect.
Functionalized few-layer silicene nanosheets: stability, elastic, structural, and electronic properties
Authors: Ipaves Bruno , Justo João F. , V. C. Assali Lucy
Published: March 2022

This paper presents an ab initio investigation, performed in the framework of density functional theory, on the properties of functionalized few-layer silicene nanosheets, denoted as Si2X2 bilayers and Si4X2 trilayers with X = B, N, Al, and P.
Impact of alkaline-earth doping on electronic properties of the photovoltaic perovskite CsSnI3: insights from a DFT perspective
Authors: Ornelas-Cruz Iván , González Israel , Pilo Jorge , Trejo Alejandro , Oviedo-Roa Raúl , Cruz-Irisson Miguel
Published: March 2022

Doping the photovoltaic perovskite material CsSnI3 with alkaline-earth species (such as Mg or Ca) could hinder the oxidation of Sn(ii) to the more stable Sn(iv), and the resulted compounds could still be suitable for single-junction solar cells.
The low overpotential regime of acidic water oxidation part II: trends in metal and oxygen stability numbers
Authors: Scott Soren B. , Sørensen Jakob E. , Rao Reshma R. , Moon Choongman , Kibsgaard Jakob , Shao-Horn Yang , Chorkendorff Ib
Published: March 2022

The relationship between metal dissolution and lattice oxygen evolution is mapped out for water oxidation in acidic electrolyte.
Pharmacokinetics, distribution and excretion of inulin-type fructan CPA after oral or intravenous administration to mice
Authors: Guo Yao , Shao Yun-yun , Zhao Yi-nan , Zhang Xiao , Chang Zhuang-peng , Sun Yi-fan , Liu Jun-jin , Gao Jianping , Hou Rui-gang
Published: March 2022

We develop a simple and efficient method to detect the concentration of the inulin-type fructan CPA from the roots of Codonopsis pilosula (Franch.) Nannf., then apply it to evaluate the pharmacokinetic behavior and distribution character in tissues and excretion in mice.
γ-Ray-driven degradation of robust epoxy thermosets
Authors: Hu Zhen , Xu Ningdi , An Ziqiang , Wang Baolong , Lu Fei , Tian Bo , Yao Gang , Liu Yingying , Liu Li , Huang Yudong
Published: March 2022

We exploit stable conjugated linkages, phenyl imine conjugated N–N bonds, for the γ-ray-induced controllable cleavage of polymer chains as a new methodology for the fabrication of γ-ray-degradable epoxy thermosets.
SBA-15 obtained from rice husk ashes wet-impregnated with metals (Al, Co, Ni) as efficient catalysts for 1,4-dihydropyridine three-component reaction
Authors: Bazani Heitor A. G. , Thomé Allison , Affeldt Ricardo F. , Probst Luiz F. D.
Published: March 2022

A fully characterized mesoporous silica prepared from industrial waste was impregnated with metals and applied as a green heterogeneous catalyst.
Selective synthesis of Kagome nanoporous graphene on Ag(111) via an organometallic template
Authors: Li Xingyu , Han Dong , Qin Tianchen , Xiong Juanjuan , Huang Jianmin , Wang Tao , Ding Honghe , Hu Jun , Xu Qian , Zhu Junfa
Published: March 2022

We have fabricated Kagome nanoporous graphene potentially exhibiting intriguing properties. The appropriate reaction parameters for improving Kagome networks are determined.
Particle interactions and their effect on magnetic particle spectroscopy and imaging
Authors: Moor Lorena , Scheibler Subas , Gerken Lukas , Scheffler Konrad , Thieben Florian , Knopp Tobias , Herrmann Inge K. , Starsich Fabian H. L.
Published: March 2022

The effect of particle interactions on the signal stability of magnetic particle imaging (MPI) and spectroscopy is analyzed. We show that our pre-aggregated flame-made nanoparticles outperform a commercial agglomerating MPI tracer.
Geometrical influence on the non-biomimetic heterolytic splitting of H2 by bio-inspired [FeFe]-hydrogenase complexes: a rare example of inverted frustrated Lewis pair based reactivity
Authors: Chatelain Lucile , Breton Jean-Baptiste , Arrigoni Federica , Schollhammer Philippe , Zampella Giuseppe
Published: March 2022

Bio-inspired [FeFe]-hydrogenase complexes and B(C6F5)3 form FLPs that are able to activate H2, providing rare examples of inverted enzymatic reactivity. The influence of the symmetry/asymmetry of coordination is studied via DFT.
Sequential and simultaneous ion transfer into carbon nanopores during charge–discharge cycles in electrical double layer capacitors
Authors: Takamatsu Hiroki , Khan Md Sharif , Araki Takuya , Urita Chiharu , Urita Koki , Ohba Tomonori
Published: March 2022

Electrical double-layer capacitance was reduced not only by degradation of ions, but also by the presence of idle ions. Meanwhile, the fast relaxation of capacitance and slow ion dynamics facilitate charge–discharge efficiency in wide pores.
Comprehensive analysis of the temperature dependence of the crystal structure of (1−x)K0.5Na0.5NbO3–xBa(Li1/4Nb3/4)O3piezoelectric ceramics
Authors: Kan Akinori , Onishi Ryo , Ohashi Shinnosuke , Ogawa Hirotaka
Published: March 2022

In situsynchrotron X-ray diffraction together with Rietveld analysis of 0.99KN–0.01BaLN revealed the presence of multiphase region which consisted of orthorhombic and tetragonal phases below 175 °C.
Quinine as a highly responsive chiral sensor for the 1H and 19F NMR enantiodiscrimination of N-trifluoroacetyl amino acids with free carboxyl functions
Authors: Recchimurzo Alessandra , Maccabruni Fabio , Uccello Barretta Gloria , Balzano Federica
Published: March 2022

CSA quinine in the 19F NMR analysis of multicomponent fluorinated amino acid derivatives.
Highly enantioselective recognition of S-ibuprofen by a host–guest induced chiral nanochannel
Authors: Liu Zhuo , Zhang Siyun , Cheng Ming , Yang Lei , Li Guang , Xu Weiwei , Qu Haonan , Liang Feng , Cheng Jing , Li Haibing
Published: March 2022

Schematic Illustration of the strategy for simulating biological channels to selectively recognize chiral drugs in the host–guest-based nanochannel.
Dumbbell structure probe-triggered rolling circle amplification (RCA)-based detection scaffold for sensitive and specific neonatal infection-related small extracellular vesicle (sEV) detection
Authors: Yang Zeping , She Dong , Sun Chunhong , Gong Mingwei , Rong Yuan
Published: March 2022

Small extracellular vesicles (sEVs) have been reported to play important roles in cell-to-cell communication and are promising biomarkers for the early diagnosis of neonatal infections.
A novel cyclopentyl methyl ether electrolyte solvent with a unique solvation structure for subzero (−40 °C) lithium-ion batteries
Authors: Ramasamy Hari Vignesh , Kim Soohwan , Adams Ethan J. , Rao Harsha , Pol Vilas G.
Published: March 2022

A novel ethylene carbonate free dilute electrolyte employing cyclopentyl methyl ether (CPME) solvent could improve the operation of graphite electrodes at −40 °C along with an excellent cyclability of 100% after 100 cycles at −20 °C.
Access to 5-fluoroalkylated trisubstituted oxazoles via copper-catalyzed cyclization of α-fluoroalkyl-α-diazoketones with amides
Authors: Jiang Di , Jia Jingpei , Wang Baiquan , Li Bin
Published: March 2022

We have developed a mechanistically distinct approach to furnish 5-fluoroalkylated trisubstituted oxazoles and thiazoles via copper-catalyzed cyclization of α-fluoroalkyl-α-diazoketones with (thio)amides.
Recent progress in antisolvent crystallization
Authors: Jia Shengzhe , Yang Peng , Gao Zhenguo , Li Zhonghua , Fang Chen , Gong Junbo
Published: March 2022

Antisolvent crystallization is a significant unit operation in the pharmaceutical industry, especially in drug crystal property optimization.
Sp2- and sp3–C⋯O tetrel bonds in the 3-oxetanone homodimer
Authors: Chen Junhua , Wang Hao , Zheng Yang , Zhang Xinyue , Xu Xuefang , Gou Qian
Published: March 2022

The structures and non-covalent interactions at play in the 3-oxetanone homodimer have been investigated using a pulsed jet Fourier transform microwave spectrometer supplemented with quantum chemical calculations.
Reactivity of organogermanium and organotin trihydrides
Authors: Auer Maximilian , Diab Fatima , Eichele Klaus , Schubert Hartmut , Wesemann Lars
Published: March 2022

TbbEH3 of germanium and tin were synthesized, and their deprotonation, hydride abstraction and hydrogen elimination were studied.
Short-chain β-manno-oligosaccharides from copra meal: structural characterization, prebiotic potential and anti-glycation activity
Authors: Shubhashini A. , Prabha Neelam , Monica P. , Chaudhari Sachin Rama , Kapoor Mukesh
Published: March 2022

Size exclusion chromatography, HR-ESI-MS, FT-IR and NMR of copra meal hydrolyzed by ManB-1601 showed the presence of oligosaccharides [CM-β-MOS: degree of polymerisation (DP) between 2 to 4]. CM-β-MOS has prebiotic and anti-glycating potential.
Successive preconcentration and mechanistic investigation of Au(iii), Pd(ii), Pt(iv) and Rh(iii) via cloud point extraction using a functionalised ionic liquid
Authors: Wu Qi , Zhao Changfeng , Wang Qinzhong , Liu Jing
Published: March 2022

This study proposes the efficient separation of Au(iii)/Pd(ii)/Pt(iv)/Rh(iii) through the 2-mercaptobenzothiazole-functionalised ionic liquid ([C6mim][2MBT]) using a cloud point extraction system.
Revealing the structure–activity relationship in woven covalent organic frameworks for the electrocatalytic oxygen reduction reaction
Authors: Li Jiawen , Liu Peng , Mao Jianxin , Yan Jianyue , Song Wenbo
Published: March 2022

A woven COF is developed as an electrocatalyst for the ORR to reveal the role of the metal center and linkage.
Stereoselective synthesis of tri-substituted tetrahydrothiophenes and their in silico binding against mycobacterial protein tyrosine phosphatase B
Authors: Jain Anshul , Maji Sushobhan , Shukla Khyati , Kumari Akanksha , Garg Shivani , Metre Ramesh K. , Bhattacharyya Sudipta , Rana Nirmal K.
Published: March 2022

DABCO catalysed highly diastereoselective cascade thia-Michael/aldol reaction was established for the construction of diversely functionalized tetrahydrothiophenes. Their in silico structure–function activities against MptpB have also been studied.
A stereochemical journey around spirocyclic glutamic acid analogs
Authors: Chernykh Anton V. , Chernykh Alla V. , Radchenko Dmytro S. , Chheda Pratik Rajesh , Rusanov Eduard B. , Grygorenko Oleksandr O. , Spies M. Ashley , Volochnyuk Dmitriy M. , Komarov Igor V.
Published: March 2022

A practical divergent synthetic approach is reported for the library of regio- and stereoisomers of glutamic acid analogs built on the spiro[3.3]heptane scaffold.
Synthesis of trifluoromethylated aza-BODIPYs as fluorescence-19F MRI dual imaging and photodynamic agents
Authors: Li Anfeng , Peng Xingxing , Jiang Mou , Wu Tingjuan , Chen Kexin , Yang Zhigang , Chen Shizhen , Zhou Xin , Zheng Xing , Jiang Zhong-Xing
Published: March 2022

The selective introduction of trifluoromethyl groups into aza-BODIPYs considerably improves their UV absorption, FL emission, photothermal efficacy and ROS generating properties, and facilitates sensitive fluorescence and 19F MRI dual imaging.
Diastereoselective construction of tetracyclic chromanes via a triply annulative strategy
Authors: Tang Zhishun , Chen Linghong , Yin Pengxuan , Yang Lu , Shi Zhichuan , Zhao Zhigang , Ye Ling , Li Xuefeng
Published: March 2022

A triple Michael/aldol cascade reaction has been established to construct tetracyclic chromanes possessing six consecutive stereocenters.
Three-component synthesis of arylsulfonyl-substituted indolo[2,1-a]isoquinolinones and benzimidazo-[2,1-a]isoquinolin-6(5H)-ones by SO2insertion and radical cascade cyclization
Authors: Zhang Jie , Yang Zixian , Yu Jin-Tao , Pan Changduo
Published: March 2022

Three-component synthesis of arylsulfonyl-substituted indolo[2,1-a]isoquinolinones and benzimidazo-[2,1-a]isoquinolin-6(5H)-ones by SO2insertion and radical cascade cyclization was developed.
Thermo-curable and photo-patternable polysiloxanes and polycarbosiloxanes by a facile Piers–Rubinsztajn polycondensation and post-modification
Authors: Fan Wenjie , Hong Nianmin , Sun Quan , Li Menglu , Fu Wenxin
Published: March 2022

A series of BCB-functionalized organosilicon materials were prepared by a facile Piers–Rubinsztajn polycondensation and Heck coupling post-modification method, rendering a simple and efficient option for advanced packaging dielectric materials.
Supramolecular topological hydrogels: from material design to applications
Authors: Liu Depeng , Yin Guangqiang , Le Xiaoxia , Chen Tao
Published: March 2022

Supramolecular topological hydrogels are constructed by introducing different dynamic topological structures into polymeric networks and thus exhibit a wide variety of stimuli-responsive properties and versatile applications.
Water enables diastereodivergency in bispidine-based chiral amine-catalyzed asymmetric Mannich reaction of cyclic N-sulfonyl ketimines with ketones
Authors: Li Gonglin , Zhang Yan , Zeng Hongkun , Feng Xiaoming , Su Zhishan , Lin Lili
Published: March 2022

A diastereodivergent asymmetric Mannich reaction of cyclic N-sulfonyl ketimines with ketones is realized by employing bispidine-based chiral amine as catalyst and additional water switching the diastereoselectivity.
An asymmetric small-molecule donor enables over 18% efficiency in ternary organic solar cells
Authors: Guan Ming , Tao Wuxi , Xu Linyong , Qin Youmei , Zhang Jianqi , Tan Songting , Huang Meihua , Zhao Bin
Published: March 2022

An asymmetric small-molecule donor TTBT-R, incorporated with benzo[2,1-b:3,4-b′]dithiophene derivative as the core, was exploited for ternary OSCs, and the ternary OSCs base on PM6:Y6 as the host and TTBT-R as the guest achieved a PCE of 18.07%.
Clinical Case Study: Space Occupying Vocal Fold Lesions
Authors: Gillespie Amanda I.
Published: March 2022

Purpose:

The purpose of this study was to describe a typical clinical course and to provide acoustic, aerodynamic, auditory-perceptual, and stroboscopic assessment of a patient with bilateral mid-membranous vocal fold lesions.

Conclusions:

The patient presented to clinic with stroboscopic evidence of phonotraumatic true vocal fold tissue changes. Her acoustic, aerodynamic, and perceptual voice evaluation also revealed values outside of the normal range. She demonstrated good ability to improve the sound and feel of her voice in response to therapeutic probes, indicating she was a good candidate for behavioral voice therapy, thus behavioral treatment was recommended as a first approach.

Supplemental Material:

https://doi.org/10.23641/asha.19371911
A fully‐dynamic 6‐bit 3‐bit/cycle SAR ADC with a single differential DAC
Authors: Zhuang Haoyu , Li Qiang , Sun Nan
Published: March 2022

This paper proposes a fully‐dynamic 6‐bit 3‐bit/cycle SAR ADC. Unlike the prior multi‐bit/cycle SAR ADCs that require several differential DACs or consume static power, the proposed SAR ADC needs only one differential DAC and is fully‐dynamic. This helps reduce the circuit complexity, the ADC input capacitance, and the power consumption. Furthermore, its comparator outputs are directly fed back to the DAC array, without any complicated logics, which further reduces complexity. Finally, simulation results demonstrate the effectiveness of the proposed structure.
Multi‐objective optimization design of the large‐scale high‐intensity homogeneous magnetic field coil system based on non‐dominated sorting genetic algorithm (NSGA‐II)
Authors: Zhu Boliang , Lu Yiwei , Yang Yong , Zhang Ming , Jiang Li , Wang Shusheng
Published: March 2022

With the development of modern tokamak devices, the magnetic interference problem has become increasingly serious. On considering the International Thermonuclear Experimental Reactor (ITER), for example, the stray magnetic field around the tokamak device will be over 200 mT. To ensure the reliable operation of the electrical and electronic equipment installed around the tokamak, the magnetic immunity test becomes a mandatory requirement. Generally, a set of coils is employed to realize the required test field. Since the coil power loss and conductor mass are proportional to the dimension and intensity of the test field, optimization design is of great significance. This paper presents the multi‐objective optimization design of a large‐scale high‐intensity homogeneous magnetic field coil system. The analytical model of the multi‐coil system is proposed, and the constrained multi‐objective optimization model is established based on the non‐dominated sorting genetic algorithm. Taking the ITER test coil as an example, the optimization design is performed and the Pareto‐front is figured out. The designed four‐coil system enables the magnetic field immunity tests for equipment within 1 m side‐length at a highest test level of 275 mT with a magnetic field inhomogeneity of 1.05. The validity of the proposed model is verified by the finite element analysis and experimental tests.
An approximate recipe of chromospheric radiative losses for solar flares
Authors: Hong J. , Carlsson M. , Ding M. D.
Published: March 2022

Context. Radiative losses in the chromosphere are very important for the energy balance of the Sun. There have been efforts to make simple lookup tables for chromospheric radiative losses in the quiet Sun. During solar flares, the atmospheric conditions are quite different, and the currently available recipe is constructed from semi-empirical models. How these recipes work in flare conditions remains to be evaluated.

Aims. We aim to construct an approximate recipe of chromospheric radiative losses for solar flares.

Methods. We tabulate the optically thin radiative loss, escape probability, and ionization fraction using a grid of flare models from radiative hydrodynamic simulations as our dataset.

Results. We provide new lookup tables to calculate chromospheric radiative losses for flares. Compared with previous recipes, our recipe provides a better approximation of the detailed radiative losses for flares.