bluuebunny/crossref_metadata_2025 huggingface dataset:
Engineered biomimetic nanoparticles achieve targeted delivery and efficient metabolism-based synergistic therapy against glioblastoma
Authors: Lu Guihong , Wang Xiaojun , Li Feng , Wang Shuang , Zhao Jiawei , Wang Jinyi , Liu Jing , Lyu Chengliang , Ye Peng , Tan Hui , Li Weiping , Ma Guanghui , Wei Wei
Published: July 2022

Glioblastoma multiforme (GBM) is an aggressive brain cancer with a poor prognosis and few treatment options. Here, building on the observation of elevated lactate (LA) in resected GBM, we develop biomimetic therapeutic nanoparticles (NPs) that deliver agents for LA metabolism-based synergistic therapy. Because our self-assembling NPs are encapsulated in membranes derived from glioma cells, they readily penetrate the blood-brain barrier and target GBM through homotypic recognition. After reaching the tumors, lactate oxidase in the NPs converts LA into pyruvic acid (PA) and hydrogen peroxide (H2O2). The PA inhibits cancer cell growth by blocking histones expression and inducing cell-cycle arrest. In parallel, the H2O2 reacts with the delivered bis[2,4,5-trichloro-6-(pentyloxycarbonyl)phenyl] oxalate to release energy, which is used by the co-delivered photosensitizer chlorin e6 for the generation of cytotoxic singlet oxygen to kill glioma cells. Such a synergism ensures strong therapeutic effects against both glioma cell-line derived and patient-derived xenograft models.
Etv2 regulates enhancer chromatin status to initiate Shh expression in the limb bud
Authors: Koyano-Nakagawa Naoko , Gong Wuming , Das Satyabrata , Theisen Joshua W. M. , Swanholm Tran B. , Van Ly Daniel , Dsouza Nikita , Singh Bhairab N. , Kawakami Hiroko , Young Samantha , Chen Katherine Q. , Kawakami Yasuhiko , Garry Daniel J.
Published: July 2022

Sonic hedgehog(Shh) is essential for limb development, and the mechanisms that govern the propagation and maintenance of its expression has been well studied; however, the mechanisms that govern the initiation ofShhexpression are incomplete. Here we report that ETV2 initiatesShhexpression by changing the chromatin status of the developmental limb enhancer, ZRS.Etv2expression precedesShhin limb buds, andEtv2inactivation prevents the opening of limb chromatin, including the ZRS, resulting in an absence ofShhexpression.Etv2overexpression in limb buds causes nucleosomal displacement at the ZRS, ectopicShhexpression, and polydactyly. Areas of nucleosome displacement coincide with ETS binding site clusters. ETV2 also functions as a transcriptional activator of ZRS and is antagonized by ETV4/5 repressors. Known human polydactyl mutations introduce novel ETV2 binding sites in the ZRS, suggesting that ETV2 dosage regulates ZRS activation. These studies identify ETV2 as a pioneer transcription factor (TF) regulating the onset ofShhexpression, having both a chromatin regulatory role and a transcriptional activation role.
Population genomics of Group B Streptococcus reveals the genetics of neonatal disease onset and meningeal invasion
Authors: Chaguza Chrispin , Jamrozy Dorota , Bijlsma Merijn W. , Kuijpers Taco W. , van de Beek Diederik , van der Ende Arie , Bentley Stephen D.
Published: July 2022

Group B Streptococcus (GBS), or Streptococcus agalactiae, is a pathogen that causes preterm births, stillbirths, and acute invasive neonatal disease burden and mortality. Here, we investigate bacterial genetic signatures associated with disease onset time and meningeal tissue infection in acute invasive neonatal GBS disease. We carry out a genome-wide association study (GWAS) of 1,338 GBS isolates from newborns with acute invasive disease; the isolates had been collected annually, for 30 years, through a national bacterial surveillance program in the Netherlands. After controlling for the population structure, we identify genetic variation within noncoding and coding regions, particularly the capsule biosynthesis locus, statistically associated with neonatal GBS disease onset time and meningeal invasion. Our findings highlight the impact of integrating microbial population genomics and clinical pathogen surveillance, and demonstrate the effect of GBS genetics on disease pathogenesis in neonates and infants.
Assembly of planar chiral superlattices from achiral building blocks
Authors: Cheng Zhihua , Jones Matthew R.
Published: July 2022

The spontaneous assembly of chiral structures from building blocks that lack chirality is fundamentally important for colloidal chemistry and has implications for the formation of advanced optical materials. Here, we find that purified achiral gold tetrahedron-shaped nanoparticles assemble into two-dimensional superlattices that exhibit planar chirality under a balance of repulsive electrostatic and attractive van der Waals and depletion forces. A model accounting for these interactions shows that the growth of planar structures is kinetically preferred over similar three-dimensional products, explaining their selective formation. Exploration and mapping of different packing symmetries demonstrates that the hexagonal chiral phase forms exclusively because of geometric constraints imposed by the presence of constituent tetrahedra with sharp tips. A formation mechanism is proposed in which the chiral phase nucleates from within a related 2D achiral phase by clockwise or counterclockwise rotation of tetrahedra about their central axis. These results lay the scientific foundation for the high-throughput assembly of planar chiral metamaterials.
Water as the often neglected medium at the interface between materials and biology
Authors: Dargaville B. L. , Hutmacher D. W.
Published: July 2022

Despite its apparent simplicity, water behaves in a complex manner and is fundamental in controlling many physical, chemical and biological processes. The molecular mechanisms underlying interaction of water with materials, particularly polymer networks such as hydrogels, have received much attention in the research community. Despite this, a large gulf still exists in applying what is known to rationalize how the molecular organization of water on and within these materials impacts biological processes. In this perspective, we outline the importance of water in biomaterials science as a whole and give indications for future research directions towards emergence of a complete picture of water, materials and biology.
Sulfur and chlorine budgets control the ore fertility of arc magmas
Authors: Grondahl Carter , Zajacz Zoltán
Published: July 2022

Continental arc magmas supply the ore-forming element budget of most globally important porphyry-type ore deposits. However, the processes enabling certain arc segments to preferentially generate giant porphyry deposits remain highly debated. Here we evaluate the large-scale covariation of key ore-forming constituents in this setting by studying silicate melt inclusions in volcanic rocks from a fertile-to-barren segment of the Andean Southern Volcanic Zone (33–40 °S). We show that the north-to-south, fertile-to-barren gradient is characterized by a northward increase in S and Cl concentrations and a simultaneous decrease in Cu. Consequently, we suggest that the concentration of S and Cl rather than the concentration of ore metals regulates magmatic-hydrothermal ore fertility, and that the loss of volatiles prior to arrival in the upper crust impacts ore-forming potential more than magmatic sulfide saturation-related ore metal scavenging.
Post-translational amino acid conversion in photosystem II as a possible origin of photosynthetic oxygen evolution
Authors: Shimada Yuichiro , Suzuki Takehiro , Matsubara Takumi , Kitajima-Ihara Tomomi , Nagao Ryo , Dohmae Naoshi , Noguchi Takumi
Published: July 2022

Photosynthetic oxygen evolution is performed at the Mn cluster in photosystem II (PSII). The advent of this reaction on ancient Earth changed its environment by generating an oxygenic atmosphere. However, how oxygen evolution originated during the PSII evolution remains unknown. Here, we characterize the site-directed mutants at the carboxylate ligands to the Mn cluster in cyanobacterial PSII. A His residue replaced for D1-D170 is found to be post-translationally converted to the original Asp to recover oxygen evolution. Gln/Asn residues in the mutants at D1-E189/D1-D342 are also converted to Glu/Asp, suggesting that amino-acid conversion is a common phenomenon at the ligand sites of the Mn cluster. We hypothesize that post-translational generation of carboxylate ligands in ancestral PSII could have led to the formation of a primitive form of the Mn cluster capable of partial water oxidation, which could have played a crucial role in the evolutionary process of photosynthetic oxygen evolution.
The trispecific DARPin ensovibep inhibits diverse SARS-CoV-2 variants
Authors: Rothenberger Sylvia , Hurdiss Daniel L. , Walser Marcel , Malvezzi Francesca , Mayor Jennifer , Ryter Sarah , Moreno Hector , Liechti Nicole , Bosshart Andreas , Iss Chloé , Calabro Valérie , Cornelius Andreas , Hospodarsch Tanja , Neculcea Alexandra , Looser Thamar , Schlegel Anja , Fontaine Simon , Villemagne Denis , Paladino Maria , Schiegg Dieter , Mangold Susanne , Reichen Christian , Radom Filip , Kaufmann Yvonne , Schaible Doris , Schlegel Iris , Zitt Christof , Sigrist Gabriel , Straumann Marcel , Wolter Julia , Comby Marco , Sacarcelik Feyza , Drulyte Ieva , Lyoo Heyrhyoung , Wang Chunyan , Li Wentao , Du Wenjuan , Binz H. Kaspar , Herrup Rachel , Lusvarghi Sabrina , Neerukonda Sabari Nath , Vassell Russell , Wang Wei , Adler Julia M. , Eschke Kathrin , Nascimento Mariana , Abdelgawad Azza , Gruber Achim D. , Bushe Judith , Kershaw Olivia , Knutson Charles G. , Balavenkatraman Kamal K. , Ramanathan Krishnan , Wyler Emanuel , Teixeira Alves Luiz Gustavo , Lewis Seth , Watson Randall , Haeuptle Micha A. , Zürcher Alexander , Dawson Keith M. , Steiner Daniel , Weiss Carol D. , Amstutz Patrick , van Kuppeveld Frank J. M. , Stumpp Michael T. , Bosch Berend-Jan , Engler Olivier , Trimpert Jakob
Published: July 2022

The emergence of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) variants with potential resistance to existing drugs emphasizes the need for new therapeutic modalities with broad variant activity. Here we show that ensovibep, a trispecific DARPin (designed ankyrin repeat protein) clinical candidate, can engage the three units of the spike protein trimer of SARS-CoV-2 and inhibit ACE2 binding with high potency, as revealed by cryo-electron microscopy analysis. The cooperative binding together with the complementarity of the three DARPin modules enable ensovibep to inhibit frequent SARS-CoV-2 variants, including Omicron sublineages BA.1 and BA.2. In Roborovski dwarf hamsters infected with SARS-CoV-2, ensovibep reduced fatality similarly to a standard-of-care monoclonal antibody (mAb) cocktail. When used as a single agent in viral passaging experiments in vitro, ensovibep reduced the emergence of escape mutations in a similar fashion to the same mAb cocktail. These results support further clinical evaluation of ensovibep as a broad variant alternative to existing targeted therapies for Coronavirus Disease 2019 (COVID-19).
Machine learning prediction of hematoma expansion in acute intracerebral hemorrhage
Authors: Tanioka Satoru , Yago Tetsushi , Tanaka Katsuhiro , Ishida Fujimaro , Kishimoto Tomoyuki , Tsuda Kazuhiko , Ikezawa Munenari , Araki Tomohiro , Miura Yoichi , Suzuki Hidenori
Published: July 2022

To examine whether machine learning (ML) approach can be used to predict hematoma expansion in acute intracerebral hemorrhage (ICH) with accuracy and widespread applicability, we applied ML algorithms to multicenter clinical data and CT findings on admission. Patients with acute ICH from three hospitals (n = 351) and those from another hospital (n = 71) were retrospectively assigned to the development and validation cohorts, respectively. To develop ML predictive models, the k-nearest neighbors (k-NN) algorithm, logistic regression, support vector machines (SVMs), random forests, and XGBoost were applied to the patient data in the development cohort. The models were evaluated for their performance on the patient data in the validation cohort, which was compared with previous scoring methods, the BAT, BRAIN, and 9-point scores. The k-NN algorithm achieved the highest area under the receiver operating characteristic curve (AUC) of 0.790 among all ML models, and the sensitivity, specificity, and accuracy were 0.846, 0.733, and 0.775, respectively. The BRAIN score achieved the highest AUC of 0.676 among all previous scoring methods, which was lower than the k-NN algorithm (p = 0.016). We developed and validated ML predictive models of hematoma expansion in acute ICH. The models demonstrated good predictive ability, showing better performance than the previous scoring methods.
Carboxylic acids derived from triacylglycerols that contribute to the increase in acid value during the thermal oxidation of oils
Authors: Sakaino Masayoshi , Sano Takashi , Kato Shunji , Shimizu Naoki , Ito Junya , Rahmania Halida , Imagi Jun , Nakagawa Kiyotaka
Published: July 2022

Acid value (AV), is a widely used indicator of oil degradation that, by definition, measures the free fatty acids formed via the hydrolysis of triacyclglycerols. However, based on observations made in previous studies, we hypothesized that the oxidation of triacylglycerols leads to the formation of carboxylic acids with a glycerol backbone which are also calculated as AV. In this study, we aimed to identify such carboxylic acids and prove the above hypothesis. Heating a canola oil at 180 °C for 6 h without the addition of water resulted in an increase in AV from 0.054 to 0.241. However, the contribution of free fatty acids to this increase in AV was minimal; free fatty acid-derived AV before and after heating was 0.020 and 0.023, respectively. Then, via mass spectrometric analyses, we identified two 8-carboxy-octanoyl (azelaoyl) -triacylglycerols (i.e., dioleoyl-azelaoyl-glycerol and oleoyl-linoleoyl-azelaoyl-glycerol) in the heated oil. Azelaoyl-triacylglycerols-derived AV before and after heating the oil was 0.008 and 0.109, respectively, demonstrating that azelaoyl-triacylglycerols contribute to AV. Such an increase in AV by azelaoyl-triacylglycerols was also observed in an oil used to deep-fry potatoes (i.e., an oil with a relatively high water content). These results suggest that AV is also an indicator of the thermal oxidation of triacylglycerols.
Normalized sensitivity of multi-dimensional body composition biomarkers for risk change prediction
Authors: Criminisi A. , Sorek N. , Heymsfield S. B.
Published: July 2022

The limitations of BMI as a measure of adiposity and health risks have prompted the introduction of many alternative biomarkers. However, ranking diverse biomarkers from best to worse remains challenging. This study aimed to address this issue by introducing three new approaches: (1) a calculus-derived, normalized sensitivity score (NORSE) is used to compare the predictive power of diverse adiposity biomarkers; (2) multiple biomarkers are combined into multi-dimensional models, for increased sensitivity and risk discrimination; and (3) new visualizations are introduced that convey complex statistical trends in a compact and intuitive manner. Our approach was evaluated on 23 popular biomarkers and 6 common medical conditions using a large database (National Health and Nutrition Survey, NHANES, N ~ 100,000). Our analysis established novel findings: (1) regional composition biomarkers were more predictive of risk than global ones; (2) fat-derived biomarkers had stronger predictive power than weight-related ones; (3) waist and hip are always elements of the strongest risk predictors; (4) our new, multi-dimensional biomarker models yield higher sensitivity, personalization, and separation of the negative effects of fat from the positive effects of lean mass. Our approach provides a new way to evaluate adiposity biomarkers, brings forth new important clinical insights and sets a path for future biomarker research.
Novel 3-D printed radiation shielding materials embedded with bulk and nanoparticles of bismuth
Authors: Elsafi M. , El-Nahal M. A. , Sayyed M. I. , Saleh I. H. , Abbas M. I.
Published: July 2022

In the present study, a new type of radiation shielding material was developed by using a 3-D printing technique which enables to create a light radiation shielding materials of a great variety of shapes and dimensions. Micro and nano bismuth particles were incorporated as a filler between the inner layers of polylactic acid thermoplastic polymer (PLA Plastic) designed of the investigated 3-D printed prototypes to achieve the desired radiation attenuation. The effect of particle size on the attenuation parameters were studied over the energy range from 0.0595 to 1.41 MeV. The mass and thickness needed to reduce the intensity of the incoming radiation to half of its original value were determined experimentally for pure polymer (ABS Plastic), polymer with bulk Bi, and polymer with nano Bi. The results reveal that bismuth NPs with average particle size of about 17 ± 3 nm have a greater mass attenuation capability than normal bulk bismuth particles, meaning they are more efficient and a lighter shield can be produced. The enhanced shielding ability of nano bismuth particles was contributed to the excellent particle distribution, leading to an increase in the probability of photons interacting with the bismuth atoms. The bismuth NPs 3-D printed objects can be considered as a promising radiation shielding candidates and also could be utilized in manufacturing of radiation medical phantom.
Can machine learning algorithms perform better than multiple linear regression in predicting nitrogen excretion from lactating dairy cows
Authors: Chen Xianjiang , Zheng Huiru , Wang Haiying , Yan Tianhai
Published: July 2022

This study aims to compare the performance of multiple linear regression and machine learning algorithms for predicting manure nitrogen excretion in lactating dairy cows, and to develop new machine learning prediction models for MN excretion. Dataset used were collated from 43 total diet digestibility studies with 951 lactating dairy cows. Prediction models for MN were developed and evaluated using MLR technique and three machine learning algorithms, artificial neural networks, random forest regression and support vector regression. The ANN model produced a lower RMSE and a higher CCC, compared to the MLR, RFR and SVR model, in the tenfold cross validation. Meanwhile, a hybrid knowledge-based and data-driven approach was developed and implemented to selecting features in this study. Results showed that the performance of ANN models were greatly improved by the turning process of selection of features and learning algorithms. The proposed new ANN models for prediction of MN were developed using nitrogen intake as the primary predictor. Alternative models were also developed based on live weight and milk yield for use in the condition where nitrogen intake data are not available (e.g., in some commercial farms). These new models provide benchmark information for prediction and mitigation of nitrogen excretion under typical dairy production conditions managed within grassland-based dairy systems.
Thread shape, cortical bone thickness, and magnitude and distribution of stress caused by the loading of orthodontic miniscrews: finite element analysis
Authors: Sakamaki Takuma , Watanabe Keiichiro , Iwasa Akihiko , Deguchi Toru , Horiuchi Shinya , Tanaka Eiji
Published: July 2022

Cortical bone thickness is assumed to be a major factor regulating miniscrew stability. We investigated stress distribution in two miniscrews with different thread shapes (type A and B) and in cortical bone of three different thicknesses using three-dimensional (3D) finite element (FE) models. More specifically, 3D FE models of two different miniscrews were created and placed obliquely or vertically into a cylindrical bone model representing different cortical bone thicknesses. When force was applied to the miniscrew, the stress distribution on the screw surface and in the peri-implant bone was assessed using FE methodology. Miniscrew safety was evaluated using a modified Soderberg safety factor. Screw head displacement increased with a decrease in cortical bone thickness, irrespective of screw type. The smallest minimum principal stresses on the screw surfaces remained constant in type A miniscrews on changes in cortical bone thickness. Minimum principal stresses also appeared on the cortical bone surface. Lower absolute values of minimum principal stresses were seen in type A miniscrews when placed vertically and with upward traction in obliquely placed type B miniscrews. Both miniscrews had acceptable safety factor values. Taken together, orthodontists should select and use the suitable miniscrew for each patient in consideration of bone properties.
LATS kinases and SLUG regulate the transition to advanced stage in aggressive oral cancer cells
Authors: Fujibayashi Emi , Mukai Satomi , Torigata Kosuke , Ando Yumi , Uchihashi Toshihiro , Nozaki Masami , Tanaka Susumu , Okada Masato , Kogo Mikihiko , Nojima Hiroshi , Yabuta Norikazu
Published: July 2022

The epithelial-to-mesenchymal transition (EMT) is a critical process by which cancer cells acquire malignant features. However, the molecular mechanism and functional implications of EMT and the mesenchymal-to-epithelial transition (MET) in tumor progression remain elusive. In this study, we established two aggressive cancer cell lines from the human oral cancer cell line SAS, mesenchymal-like SAS-m4 and epithelial-like SAS-δ. SAS-δ is a revertant cell obtained by inducing MET in SAS-m4. SAS-δ, but not SAS-m4, exhibited abnormal cell growth, including piled-up overgrowth and invasive tumor formation in the tongues of nude mice, suggesting that SAS-δ represented more advanced cancer cells than the parental SAS cells. EMT-related transcriptional factor SLUG is phosphorylated at T208 and partly stabilized by the Hippo pathway kinases, LATS1 and LATS2. Depletion of SLUG promoted the invasive activity of SAS-δ by increasing the protein levels of LATS1/2 and the proportion of the phosphorylated form among total SLUG protein. Our results suggest that the LATS1/2–SLUG axis regulates the transition of SAS cells to the advanced stage via repeated switching between EMT and MET. Therefore, an anti-SLUG-pT208 antibody would be valuable not alone as a malignant tumor marker antibody but also as a prognostic tool for patients with malignant disease.
The P-type pentatricopeptide repeat protein DWEORG1 is a non-previously reported rPPR protein of Arabidopsis mitochondria
Authors: Grüttner Stefanie , Nguyen Tan-Trung , Bruhs Anika , Mireau Hakim , Kempken Frank
Published: July 2022

Gene expression in plant mitochondria is mainly regulated by nuclear-encoded proteins on a post-transcriptional level. Pentatricopeptide repeat (PPR) proteins play a major role by participating in mRNA stability, splicing, RNA editing, and translation initiation. PPR proteins were also shown to be part of the mitochondrial ribosome (rPPR proteins), which may act as regulators of gene expression in plants. In this study, we focus on a mitochondrial-located P-type PPR protein—DWEORG1—from Arabidopsis thaliana. Its abundance in mitochondria is high, and it has a similar expression pattern as rPPR proteins. Mutant dweorg1 plants exhibit a slow-growth phenotype. Using ribosome profiling, a decrease in translation efficiency for cox2, rps4, rpl5, and ccmFN2 was observed in dweorg1 mutants, correlating with a reduced accumulation of the Cox2 protein in these plants. In addition, the mitochondrial rRNA levels are significantly reduced in dweorg1 compared with the wild type. DWEORG1 co-migrates with the ribosomal proteins Rps4 and Rpl16 in sucrose gradients, suggesting an association of DWEORG1 with the mitoribosome. Collectively, this data suggests that DWEORG1 encodes a novel rPPR protein that is needed for the translation of cox2, rps4, rpl5, and ccmFN2 and provides a stabilizing function for mitochondrial ribosomes.
TFEB induces mitochondrial itaconate synthesis to suppress bacterial growth in macrophages
Authors: Schuster Ev-Marie , Epple Maximilian W. , Glaser Katharina M. , Mihlan Michael , Lucht Kerstin , Zimmermann Julia A. , Bremser Anna , Polyzou Aikaterini , Obier Nadine , Cabezas-Wallscheid Nina , Trompouki Eirini , Ballabio Andrea , Vogel Jörg , Buescher Joerg M. , Westermann Alexander J. , Rambold Angelika S.
Published: July 2022

Successful elimination of bacteria in phagocytes occurs in the phago-lysosomal system, but also depends on mitochondrial pathways. Yet, how these two organelle systems communicate is largely unknown. Here we identify the lysosomal biogenesis factor transcription factor EB (TFEB) as regulator for phago-lysosome-mitochondria crosstalk in macrophages. By combining cellular imaging and metabolic profiling, we find that TFEB activation, in response to bacterial stimuli, promotes the transcription of aconitate decarboxylase (Acod1, Irg1) and synthesis of its product itaconate, a mitochondrial metabolite with antimicrobial activity. Activation of the TFEB–Irg1–itaconate signalling axis reduces the survival of the intravacuolar pathogen Salmonella enterica serovar Typhimurium. TFEB-driven itaconate is subsequently transferred via the Irg1-Rab32–BLOC3 system into the Salmonella-containing vacuole, thereby exposing the pathogen to elevated itaconate levels. By activating itaconate production, TFEB selectively restricts proliferating Salmonella, a bacterial subpopulation that normally escapes macrophage control, which contrasts TFEB’s role in autophagy-mediated pathogen degradation. Together, our data define a TFEB-driven metabolic pathway between phago-lysosomes and mitochondria that restrains Salmonella Typhimurium burden in macrophages in vitro and in vivo.
A review on nanomaterial-based electrodes for the electrochemical detection of chloramphenicol and furazolidone antibiotics
Authors: K. J. Abhishek , Reddy Sathish , Acharya Shubha , B. Lakshmi , Deepak K. , Naveen C. S. , Harish K. N. , Ramakrishna Seeram
Published: July 2022

Antibiotics were added to the food, and these antibiotics can accumulate in the human body through food metabolism, which may have remarkably harmful effects on human health and safety.
Synthesis and structure–activity relationship of peptide nucleic acid probes with improved interstrand-crosslinking abilities: application to biotin-mediated RNA-pulldown
Authors: Cadoni Enrico , Pennati Francesca , Muangkaew Penthip , Elskens Joke , Madder Annemieke , Manicardi Alex
Published: July 2022

After optimization of interstrand crosslink reaction between furan-containing peptide nucleic acids and target oligonucleotides, the reversibility of the formed product is exploited for the pull-down of a sequence of interest from cell lysates.
Polymorphism and photoluminescence seen in (2-amino-5-chloropyridine)·(9-anthracenecarboxylic acid)·(trinitrobenzene): a further example of the salt-cocrystal continuum observed by virtue of isolating multiple crystal forms
Authors: Salajee Atiyyah , Morrison Caitlin , Erasmus Rudolph , Lemmerer Andreas
Published: July 2022

A ternary adduct made up of trinitrobenzene, 2-amino-5-chloropyridine and 9-anthracenecarboxylic acid crystallizes out in two polymorphic forms. The two adducts, orange and red coloured, are a further example of the salt/co-crystal continuum.
Modulation of the photocatalytic activity and crystallinity of F-TiO2 nanoparticles by using green natural carboxylic acids
Authors: Díaz-Sánchez Miguel , Delgado-Álvarez Paula N. , Gómez I. Jénnifer , Díaz-García Diana , Prashar Sanjiv , Gómez-Ruiz Santiago
Published: July 2022

Ultrareactive F-doped mesoporous TiO2 nanoparticles with potential environmental applications have been synthesized using green natural carboxylic acids.
The postsynthetic renaissance of luminescent lanthanide ions on crystalline porous organic framework materials
Authors: Xu Xin , Yan Bing
Published: July 2022

Recent studies about the design and fabrication of Ln@MOF/COF/HOF luminescent materials and devices have been reviewed systematically.
Ozone production in electron irradiated CO2:O2 ices
Authors: Mifsud Duncan V. , Kaňuchová Zuzana , Ioppolo Sergio , Herczku Péter , Traspas Muiña Alejandra , Sulik Béla , Rahul K. K. , Kovács Sándor T. S. , Hailey Perry A. , McCullough Robert W. , Mason Nigel J. , Juhász Zoltán
Published: July 2022

Various CO2:O2 ices were irradiated using 1 keV electrons at 20 K. The O3 formation efficiency of each ice was quantified and an analysis of its ν3 absorption band was carried out. Our results are applicable to outer Solar System ice astrochemistry.
Selective CO2 reduction on topological Chern magnet TbMn6Sn6
Authors: Li Xi-Mei , Lin Zheng-Zhe , Chen Xin-Wei , Chen Xi
Published: July 2022

Topological Chern magnet TbMn6Sn6 as selective CO2RR catalyst with low onset potential.
Management of fluorescent organic/inorganic nanohybrids for biomedical applications in the NIR-II region
Authors: Li Benhao , Zhao Mengyao , Lin Jing , Huang Peng , Chen Xiaoyuan
Published: July 2022

This paper reviews organic and inorganic species as building blocks and various design strategies of NIR-II nanohybrids for intensity-based and lifetime-based bioimaging and biosensing.
Selective production of formate over a CuO electrocatalyst by electrochemical and photoelectrochemical biomass valorisation
Authors: Chuang Ping-Chang , Lai Yi-Hsuan
Published: July 2022

CuO acts as a selective (a) electrocatalyst for electrochemical formate production from various biomass wastes and (b) a cocatalyst on a hematite photoanode for photoelectrochemical formate production from glucose.
Iron–N-heterocyclic carbene complexes as efficient electrocatalysts for water oxidation under acidic conditions
Authors: Guo Wen-Xiu , Shen Zhi-Kai , Su Yun-Fei , Li Kang , Lin Wang-Qiang , Chen Guang-Hui , Guan Jie , Wang Xiaoming , Li Zhaosheng , Yu Zhen-Tao , Zou Zhigang
Published: July 2022

An N-heterocyclic carbene (NHC)-based iron(iii) complex as a homogeneous catalyst for water oxidation under acidic and neutral conditions with high activity and stability.
Syntheses, structures, and magnetic properties of the lanthanide complexes of imidazole-substituted nitronyl nitroxide biradicals
Authors: Xia Cheng-Cai , Ji Wen-Jie , Zhang Xin-Yu , Miao Hao , Zhang Yi-Quan , Wang Xin-Yi
Published: July 2022

Two series of lanthanide complexes of two imidazole-substituted nitronyl nitroxide biradicals have been synthesized and characterized structurally and magnetically.
Are cosmetics a significant source of PFAS in Europe? product inventories, chemical characterization and emission estimates
Authors: Pütz Kerstin Winkens , Namazkar Shahla , Plassmann Merle , Benskin Jonathan P.
Published: July 2022

Estimates of per- and polyfluoroalkyl substance (PFAS) emission from the use of cosmetics in Europe.
Wheatgrass extract imparts neuroprotective actions against scopolamine-induced amnesia in mice
Authors: Katiyar Parul , Singh Rathore Aaina , Banerjee Somesh , Nathani Sandip , Zahra Walia , Singh Surya Pratap , Sircar Debabrata , Roy Partha
Published: July 2022

The rich and diverse phytoconstituents of wheatgrass have established it as a natural antioxidant and detoxifying agent.
A numerical lift force analysis on the inertial migration of a deformable droplet in steady and oscillatory microchannel flows
Authors: Lafzi Ali , Dabiri Sadegh
Published: July 2022

We report a new approach to analyze lift forces acting on a droplet in steady and oscillatory microchannel flows. We use nonlinear regression and Bayesian modeling to derive the lift profiles for various oscillation frequencies and Capillary numbers.
Polymer-induced biofilms for enhanced biocatalysis
Authors: Adoni Pavan , Romanyuk Andrey , Overton Tim W. , Fernandez-Trillo Paco
Published: July 2022

Here, we show how synthetic polymers, prepared by a combination of controlled radical polymerization and in-situ screening, can be used to address a biological challenge – how to improve biofilm formation – to provide solutions to a field – biocatalysis – of industrial and societal relevance.
Anti-ESBL derivatives of marine endophytic Streptomyces xiamenensis GRG 5 (KY457709) against ESBL producing bacteria
Authors: Rajivgandhi Govindan , Ramachandran Govindan , Vijayan Ramachandran , Quero Franck , Maruthupandy Muthuchamy , Alharbi Naiyf S. , Kadaikunnan Shine , Natesan Manoharan , Li Wen-Jun
Published: July 2022

Increased oxidation levels in bacteria after DTBHAI treatment confirmed the beta lactamase degradation effect.
Induced cytotoxicity of peptides by intracellular native chemical ligation
Authors: Lee Jeonghun , Oh Eun-Taex , Lee Eunkyung , Park Heon Joo , Kim Chulhee
Published: July 2022

The intracellular NCL reaction of peptide with both N-terminal cysteine and C-terminal crypto-thioester with protecting groups occurs naturally in cancer cells, which endows peptide with induced cytotoxicity.
What are inorganic nanozymes? Artificial or inorganic enzymes
Authors: Huang Xiao-Lan
Published: July 2022

Inorganic enzymes, a new class of inorganic nanomaterials with intrinsic enzyme-like properties, are comparable to proteins and RNAs as biocatalysts.
Ni-Based multifunctional catalysts derived from layered double hydroxides for the catalytic conversion of cellulose to polyols
Authors: Gao Ting-ting , Sun Yong-gang , Zhu Ying-bo , Lin Feng , Zhong Yu-dan , Li Yuan-yuan , Ji Wen-xin , Ma Yu-long
Published: July 2022

The size of Ni in the prepared Ni oxide catalyst is 1–2 nm.
Simultaneous determination of daidzein, its prodrug and major conjugative metabolites in rat plasma and application in a pharmacokinetic study
Authors: Li Yingchao , Liu Xiaoyu , Lu Farong , Zhang Jiaming , Zhang Yawei , Li Wenchao , Zhang Tianhong
Published: July 2022

The developed method successfully validated that the synthesized prodrug improved the bioavailability of DAN by reducing its phase II metabolites.
Packaging of DNA origami in viral capsids: towards synthetic viruses
Authors: Kler Stanislav , Zalk Ran , Upcher Alexander , Kopatz Idit
Published: July 2022

We report a new type of nanoparticle for gene delivery, consisting of a nucleic acid core (>7500 nt) folded into a 35 nm DNA origami sphere, encapsulated by a capsid composed of the three SV40 virus capsid proteins.
A flexible metal nano-mesh strain sensor with the characteristic of spontaneous functional recovery after fracture damage
Authors: Zhao Dongyang , Nie Bangbang , Qi Guochen , Li Shijiao , Zhu Qichen , Qiu Jingjiang , Hsu Yenya , Zhang Yudong , Wang Wen , Zhang Qidong , Wei Zonhan
Published: July 2022

Developing flexible sensors with high sensitivity, a wide sensing range, and good stability is a challenge.
Synthesis and properties of helical polystyrene derivatives with amino acid side groups
Authors: Fan Yinghao , Yang Wenke , Qiao Congde , Liu Qinze , Yao Jinshui , Zhang Changbin
Published: July 2022

A series of polystyrene derivatives with chiral amide groups with a controlled molecular weight and narrow molecular weight distribution were synthesized by reversible addition–fragmentation chain transfer (RAFT) radical polymerization.
Does the inclusion of electronic polarisability lead to a better modelling of peptide aggregation?
Authors: Kav Batuhan , Strodel Birgit
Published: July 2022

Simulating the process of amyloid aggregation is a hard task. We test whether the inclusion of electronic polarisability as done in CHARMM-Drude improves the modelling of Aβ16–22 aggregation and find it does not. Reasons for the failure are given.
Comparison of pharmaceutical removal in two membrane bioreactors with/without powdered activated carbon addition
Authors: Liu Ya-Ting , Xia Qing , Huang Wei-Wei , Yi Xue-Song , Dong Li-Li , Yang Fei
Published: July 2022

The present study investigates the removal of six selected pharmaceuticals from municipal wastewater in two membrane bioreactors (MBRs) with and without powdered activated carbon (PAC) addition.
Synthesis and evaluation of UiO-66@MIP towards norfloxacin in water
Authors: Wu Zixuan , Liu Wanqiong , Zhang Sixue , Peng Zhihua , Dong Yanshan , Huang Zeyu , Zhong Mingmin , Ye Youai , Su Xiaoping , Liang Yong
Published: July 2022

In this study, UiO-66@MIP was synthesized to remove NOX. The ability of UiO-66@MIP to adsorb norfloxacin in actual wastewater was also explored.
Electrochemical corrosion behaviour of four low-carbon steels in saline soil
Authors: Qi Gang , Qin Xinhao , Xie Jun , Han Pengju , He Bin
Published: July 2022

The corrosion behaviour and corrosion products of four kinds of low carbon steels in natural saline soil were studied by various testing methods and surface characterization methods.
Phenoxy pendant isatins as potent α-glucosidase inhibitors: reciprocal carbonyl⋯carbonyl interactions, antiparallel π⋯π stacking driven solid state self-assembly and biological evaluation
Authors: Mehreen Saba , Zia Mehwash , Khan Ajmal , Hussain Javid , Ullah Saeed , Anwar Muhammad U. , Al-Harrasi Ahmed , Naseer Muhammad Moazzam
Published: July 2022

Carbonyl–carbonyl (CO⋯CO) interactions are recently explored noncovalent interactions of significant interest owing to their role in the stability of biomacromolecules.
Facile preparation of 3D porous agar-based heteroatom-doped carbon aerogels for high-energy density supercapacitors
Authors: Xie Kaijun , Xia Kai , Ding Xin , Fang Long , Liu Xin , Zhang Xiaodong
Published: July 2022

N and O co-doped agar porous carbon (APC) as electrode materials exhibit excellent performance. A respectable energy density of 20.4 W h kg−1 and an ultra-high power density of 449 W kg−1, as well as excellent cycle stability in 1 M Na2SO4 electrolyte.
Expression of concern: Ultrafine carbamazepine nanoparticles with enhanced water solubility and rate of dissolution
Authors: Fisher Laura
Published: July 2022

Expression of concern for ‘Ultrafine carbamazepine nanoparticles with enhanced water solubility and rate of dissolution’ by Raj Kumar et al., RSC Adv., 2014, 4, 48101–48108, https://doi.org/10.1039/C4RA08495K.
Mechanistic dichotomy in the solvent dependent access to E vs. Z-allylic amines via decarboxylative vinylation of amino acids
Authors: Manna Samir , Kakumachi Shunta , Das Kanak Kanti , Tsuchiya Youichi , Adachi Chihaya , Panda Santanu
Published: July 2022

A solvent-dependent access to E vs. Z-allylic amines was achieved via decarboxylative vinylation of amino acids. Detailed experimental studies have been conducted to understand the role of the solvent in the reactivity and stereoselectivity of the vinylation reactions.
Amino group induced structural diversity and near-infrared emission of yttrium-tetracarboxylate frameworks
Authors: Xia Hai-Lun , Zhou Kang , Guo Jiandong , Zhang Jian , Huang Xiaoxi , Luo Dawei , Liu Xiao-Yuan , Li Jing
Published: July 2022

Introduction of amino groups into linkers will not only induce a significant emission red-shift to near-infrared, but also increase structural diversity of resultant LMOFs, leading to structural change from ftw, scu to an unprecedented topology hlx.
Stabilization of a high-spin three-coordinate Fe(iii) imidyl complex by radical delocalization
Authors: Yang Po-Chun , Yu Kuan-Po , Hsieh Chi-Tien , Zou Junjie , Fang Chia-Te , Liu Hsin-Kuan , Pao Chih-Wen , Deng Liang , Cheng Mu-Jeng , Lin Chun-Yi
Published: July 2022

A stable three-coordinate Fe imido radical (i.e. imidyl) complex can be stabilized via N radical delocalization onto the aryl imido substituent.
Inverse potential scaling in co-electrocatalytic activity for CO2reduction through redox mediator tuning and catalyst design
Authors: Reid Amelia G. , Moreno Juan J. , Hooe Shelby L. , Baugh Kira R. , Thomas Isobel H. , Dickie Diane A. , Machan Charles W.
Published: July 2022

The use of sulfone-based redox mediators in electrocatalytic CO2reduction by Cr-centered complexes enhances the turnover frequencies at lower overpotentialsviainner-sphere electron transfer and pancake bonding.
Tandem rigidification and π-extension as a key tool for the development of a narrow linewidth yellow hyperfluorescent OLED system
Authors: Bartkowski Krzysztof , Zimmermann Crocomo Paola , Kochman Michał Andrzej , Kumar Dharmandra , Kubas Adam , Data Przemysław , Lindner Marcin
Published: July 2022

The rigidification with simultaneous π-extension of TADF-active dye leads to fluorescent dopant with fine-tuned energy levels. These used as hyperfluorescent OLED device shows extraordinary EQE and brightness due to effective FRET and TTS processes.
Structural, dynamic, and diffusion properties of a Li6(PS4)SCl superionic conductor from molecular dynamics simulations; prediction of a dramatically improved conductor
Authors: Das Tridip , Merinov Boris V. , Yang Moon Young , Goddard III William A.
Published: July 2022

Li6(PS4)SCl superionic conductor – solid electrolyte for next generation batteries.
A high-performance photodetector based on small-bundled single-wall carbon nanotube film/silicon heterojunctions
Authors: Zhao Yi-Ming , Hu Xian-Gang , Shi Chao , Ding Wu-Tong , Hou Peng-Xiang , Liu Chang , Cheng Hui-Ming
Published: July 2022

A single-wall carbon nanotube/Si heterojunction photodetector fabricated using a small-bundled SWCNT film with a carbon-welding structure at tube/tube junctions shows a high responsivity (R) of 0.43 A W−1 and high detectability (D*) of 4.2 × 1013 Jones.
Isomerization of two-dimensional non-fullerene electron acceptor materials for developing high-performance organic solar cells
Authors: Yang Yezi , Yao Chuang , Li Lei , Bo Maolin , He Meng , Wang Jinshan
Published: July 2022

Three isomeric 2D NFA materials were constructed by one 2D core and four end groups, which implies that the isomerism of conjugated backbone is also an efficient method to turn the optoelectronic properties of NFA materials.
Aprosodia Following Focal Brain Damage: What's Right and What's Left?
Authors: Ukaegbe Onyinyechi C. , Holt Brooke E. , Keator Lynsey M. , Brownell Hiram , Blake Margaret Lehman , Lundgren Kristine
Published: July 2022

Purpose:

Hemispheric specialization for the comprehension and expression of linguistic and emotional prosody is typically attributed to the right hemisphere. This study used techniques adapted from meta-analysis to critically examine the strength of existing evidence for hemispheric lateralization of prosody following brain damage.

Method:

Twenty-one databases were searched for articles published from 1970 to 2020 addressing differences in prosody performance between groups defined by right hemisphere damage and left hemisphere damage. Hedges's
g
effect sizes were calculated for all possible prosody comparisons. Primary analyses summarize effects for four types: linguistic production, linguistic comprehension, emotion comprehension, and emotion production. Within each primary analysis, Hedges's
g
values were averaged across comparisons (usually from a single article) based on the same sample of individuals. Secondary analyses explore more specific classifications of comparisons.

Results:

Out of the 113 articles investigating comprehension and production of emotional and linguistic prosody, 62 were deemed appropriate for data extraction, but only 21 met inclusion criteria, passed quality reviews, and provided sufficient information for analysis. Evidence from this review illustrates the heterogeneity of research methods and results from studies that have investigated aprosodia. This review provides inconsistent support for selective contribution of the two cerebral hemispheres to prosody comprehension and production; however, the strongest finding suggests that right hemisphere lesions disrupt emotional prosody comprehension more than left hemisphere lesions.

Conclusion:

This review highlights the impoverished nature of the existing literature; offers suggestions for future research; and highlights relevant clinical implications for the prognostication, evaluation, and treatment of aprosodia.

Supplemental Material:

https://doi.org/10.23641/asha.20334987
Predicting Perceived Vocal Roughness Using a Bio-Inspired Computational Model of Auditory Temporal Envelope Processing
Authors: Park Yeonggwang , Anand Supraja , Ozmeral Erol J. , Shrivastav Rahul , Eddins David A.
Published: July 2022

Purpose:

Vocal roughness is often present in many voice disorders but the assessment of roughness mainly depends on the subjective auditory-perceptual evaluation and lacks acoustic correlates. This study aimed to apply the concept of roughness in general sound quality perception to vocal roughness assessment and to characterize the relationship between vocal roughness and temporal envelop fluctuation measures obtained from an auditory model.

Method:

Ten /ɑ/ recordings with a wide range of roughness were selected from an existing database. Ten listeners rated the roughness of the recordings in a single-variable matching task. Temporal envelope fluctuations of the recordings were analyzed with an auditory processing model of amplitude modulation that utilizes a modulation filterbank of different modulation frequencies. Pitch strength and the smoothed cepstral peak prominence were also obtained for comparison.

Results:

Individual simple regression models yielded envelope standard deviation from a modulation filter with a low center frequency (64.3 Hz) as a statistically significant predictor of vocal roughness with a strong coefficient of determination (
r
2
= .80). Pitch strength and CPPS were not significant predictors of roughness.

Conclusion:

This result supports the possible utility of envelope fluctuation measures from an auditory model as objective correlates of vocal roughness.
Speech-Language Pathology and Audiology in Ibero-America: Training, Developments, Challenges, and Opportunities
Authors: Palacios Coello Fabiola , Alcalá Aristimuño Yralis , Pilar Mirely Chois Lenis , Franco Boggio Zaniah , Puig Herreros Clara , Navas Ana Luiza , León Godoy Alexis Mauricio , Moscardi Graciela , Gorman Brenda K.
Published: July 2022

Purpose:

International exchange has contributed to the expansion and advancement of the communication sciences and disorders (CSD) professions across the globe including in Ibero-America. This review article presents information about the professions in Ibero-American countries as compiled through reviews of public documents and dialogue at the international virtual roundtable event “Training of Phonoaudiologists in Ibero-America: Challenges and Opportunities,” hosted by faculty from the Universidad de Cuenca (University of Cuenca), Ecuador, in 2020. Faculty attendees represented numerous Ibero-American countries including Argentina, Brazil, Colombia, Chile, Ecuador, Spain, and Venezuela. This international event facilitated the exchange of information regarding the history, academic training and degrees, professional organizations, research, current challenges, and proposed opportunities to collaborate and shape the future of the professions.

Conclusion:

The COVID-19 pandemic encouraged this international, virtual exchange, thereby contributing to the current publication, which offers readership increased knowledge and understanding of CSD professions in additional regions of the world.
A D‐band quadrature‐hybrids‐based 5‐bit vector‐modulated phase shifter with low RMS phase error
Authors: Zhang Zhenyi , Yang Maoxuan , Xie Qian , Wang Zheng
Published: July 2022

This letter presents a D‐band 5‐bit vector‐modulated phase shifter based on quadrature hybrids for D‐band phased arrays. The proposed vector‐modulated phase shifter employs two stages of quadrature hybrid followed with a single‐pole double‐throw switch for I/Q phase splitting and vector‐summing. To improve the isolation performance, traveling‐wave single‐pole double‐throw switches together with transistor parallel inductors are adopted. A marchand balun followed with two variable gain amplifiers is placed between the two quadrature hybrids for I/Q amplitude weighting. A proof‐of‐concept vector‐modulated phase shifter is designed and fabricated in 0.13 μm SiGe BiCMOS technology and occupies a core chip area of 0.45 mm2. Measurement results show that the RMS phase error is 1.6° at 149 GHz and the RMS gain error is below 2.8 dB over 146–156 GHz. The DC power consumption is 148 mW.