bluuebunny/crossref_metadata_2025 huggingface dataset:
A pocket-based 3D molecule generative model fueled by experimental electron density
Authors: Wang Lvwei , Bai Rong , Shi Xiaoxuan , Zhang Wei , Cui Yinuo , Wang Xiaoman , Wang Cheng , Chang Haoyu , Zhang Yingsheng , Zhou Jielong , Peng Wei , Zhou Wenbiao , Huang Bo
Published: September 2022

We report for the first time the use of experimental electron density (ED) as training data for the generation of drug-like three-dimensional molecules based on the structure of a target protein pocket. Similar to a structural biologist building molecules based on their ED, our model functions with two main components: a generative adversarial network (GAN) to generate the ligand ED in the input pocket and an ED interpretation module for molecule generation. The model was tested on three targets: a kinase (hematopoietic progenitor kinase 1), protease (SARS‐CoV‐2 main protease), and nuclear receptor (vitamin D receptor), and evaluated with a reference dataset composed of over 8000 compounds that have their activities reported in the literature. The evaluation considered the chemical validity, chemical space distribution-based diversity, and similarity with reference active compounds concerning the molecular structure and pocket-binding mode. Our model can generate molecules with similar structures to classical active compounds and novel compounds sharing similar binding modes with active compounds, making it a promising tool for library generation supporting high-throughput virtual screening. The ligand ED generated can also be used to support fragment-based drug design. Our model is available as an online service to academic users via https://edmg.stonewise.cn/#/create.
Study of gut microbiota alterations in Alzheimer's dementia patients from Kazakhstan
Authors: Kaiyrlykyzy Aiym , Kozhakhmetov Samat , Babenko Dmitriy , Zholdasbekova Gulnaz , Alzhanova Dinara , Olzhayev Farkhad , Baibulatova Aida , Kushugulova Almagul R. , Askarova Sholpan
Published: September 2022

We have investigated the diversity and composition of gut microbiotas isolated from AD (Alzheimer's disease) patients (n = 41) and healthy seniors (n = 43) from Nur-Sultan city (Kazakhstan). The composition of the gut microbiota was characterized by 16S ribosomal RNA sequencing. Our results demonstrated significant differences in bacterial abundance at phylum, class, order, and genus levels in AD patients compared to healthy aged individuals. Relative abundance analysis has revealed increased amount of taxa belonging to Acidobacteriota, Verrucomicrobiota, Planctomycetota and Synergistota phyla in AD patients. Among bacterial genera, microbiotas of AD participants were characterized by a decreased amount of Bifidobacterium, Clostridia bacterium, Castellaniella, Erysipelotrichaceae UCG-003, Roseburia, Tuzzerella, Lactobacillaceae and Monoglobus. Differential abundance analysis determined enriched genera of Christensenellaceae R-7 group, Prevotella, Alloprevotella, Eubacterium coprostanoligenes group, Ruminococcus, Flavobacterium, Ohtaekwangia, Akkermansia, Bacteroides sp. Marseille-P3166 in AD patients, whereas Levilactobacillus, Lactiplantibacillus, Tyzzerella, Eubacterium siraeum group, Monoglobus, Bacteroides, Erysipelotrichaceae UCG-003, Veillonella, Faecalibacterium, Roseburia, Haemophilus were depleted. We have also found correlations between some bacteria taxa and blood serum biochemical parameters. Adiponectin was correlated with Acidimicrobiia, Faecalibacterium, Actinobacteria, Oscillospiraceae, Prevotella and Christensenellaceae R-7. The Christensenellaceae R-7 group and Acidobacteriota were correlated with total bilirubin, while Firmicutes, Acidobacteriales bacterium, Castellaniella alcaligenes, Lachnospiraceae, Christensenellaceae and Klebsiella pneumoniae were correlated with the level of CRP in the blood of AD patients. In addition, we report the correlations found between disease severity and certain fecal bacteria. This is the first reported study demonstrating gut microbiota alterations in AD in the Central Asian region.
Determination for a suitable ratio of dried black pepper and cinnamon powder in the development of mixed-spice ice cream
Authors: Aumpa Pajaree , Khawsud Amita , Jannu Taruedee , Renaldi Gerry , Utama-Ang Niramon , Bai-Ngew Shitapan , Walter Ponjan , Samakradhamrongthai Rajnibhas Sukeaw
Published: September 2022

Black pepper powder (BPP) and cinnamon powder (CP) are traditionally used as food ingredients and can apply related to developing a functional product. In this study, BPP and CP were used as an ingredient in mixed-spice ice cream (MSIC). The physicochemical properties, textural properties, and sensory qualities were investigated as key points. BPP (0.51–17.49 g) and CP (8.79–51.21 g) were combined using a central composite design (CCD) with 2 centerpoints. The optimized BPP and CP for the MSIC were 15.00 g and 34.00 g, which exhibited firmness and overrun at 3210.65 ± 105.74 g.force and 61.63 ± 0.60%. The MSIC with optimized BPP and CP also provides high bioactive compounds and antioxidant activities with cinnamaldehyde and piperine as flavor characteristics. The findings indicated that BPP and CP can enhance the functional properties and provide alternative flavors in the food product, providing an innovative approach to deliver health-beneficial combinations for consumer satisfaction.
Circulating tumor DNA sequencing provides comprehensive mutation profiling for pediatric central nervous system tumors
Authors: Bonner Erin R. , Harrington Robin , Eze Augustine , Bornhorst Miriam , Kline Cassie N. , Gordish-Dressman Heather , Dawood Adam , Das Biswajit , Chen Li , Pauly Rini , Williams P. Mickey , Karlovich Chris , Peach Amanda , Howell D’andra , Doroshow James , Kilburn Lindsay , Packer Roger J. , Mueller Sabine , Nazarian Javad
Published: September 2022

Molecular profiling of childhood CNS tumors is critical for diagnosis and clinical management, yet tissue access is restricted due to the sensitive tumor location. We developed a targeted deep sequencing platform to detect tumor driver mutations, copy number variations, and heterogeneity in the liquid biome. Here, we present the sensitivity, specificity, and clinical relevance of our minimally invasive platform for tumor mutation profiling in children diagnosed with CNS cancer.
Data-driven causal model discovery and personalized prediction in Alzheimer's disease
Authors: Zheng Haoyang , Petrella Jeffrey R. , Doraiswamy P. Murali , Lin Guang , Hao Wenrui ,   for the Alzheimer’s Disease Neuroimaging Initiative
Published: September 2022

With the explosive growth of biomarker data in Alzheimer’s disease (AD) clinical trials, numerous mathematical models have been developed to characterize disease-relevant biomarker trajectories over time. While some of these models are purely empiric, others are causal, built upon various hypotheses of AD pathophysiology, a complex and incompletely understood area of research. One of the most challenging problems in computational causal modeling is using a purely data-driven approach to derive the model’s parameters and the mathematical model itself, without any prior hypothesis bias. In this paper, we develop an innovative data-driven modeling approach to build and parameterize a causal model to characterize the trajectories of AD biomarkers. This approach integrates causal model learning, population parameterization, parameter sensitivity analysis, and personalized prediction. By applying this integrated approach to a large multicenter database of AD biomarkers, the Alzheimer’s Disease Neuroimaging Initiative, several causal models for different AD stages are revealed. In addition, personalized models for each subject are calibrated and provide accurate predictions of future cognitive status.
Precise identification of cancer cells from allelic imbalances in single cell transcriptomes
Authors: Trinh Mi K. , Pacyna Clarissa N. , Kildisiute Gerda , Thevanesan Christine , Piapi Alice , Ambridge Kirsty , Anderson Nathaniel D. , Khabirova Eleonora , Prigmore Elena , Straathof Karin , Behjati Sam , Young Matthew D.
Published: September 2022

A fundamental step of tumour single cell mRNA analysis is separating cancer and non-cancer cells. We show that the common approach to separation, using shifts in average expression, can lead to erroneous biological conclusions. By contrast, allelic imbalances representing copy number changes directly detect the cancer genotype and accurately separate cancer from non-cancer cells. Our findings provide a definitive approach to identifying cancer cells from single cell mRNA sequencing data.
Engineered marble-like bovine fat tissue for cultured meat
Authors: Zagury Yedidya , Ianovici Iris , Landau Shira , Lavon Neta , Levenberg Shulamit
Published: September 2022

Cultured meat can provide a sustainable and more ethical alternative to conventional meat. Most of the research in this field has been focused on developing muscle tissue, as it is the main component of meat products, while very few studies address cultured fat tissue, an essential component in the human diet and determinant of meat quality, flavor, juiciness, and tenderness. Here, we engineered bovine fat tissue for cultured meat and incorporated it within engineered bovine muscle tissue. Mesenchymal stem cells (MSCs) were derived from bovine adipose tissue and exhibited the typical phenotypic profile of adipose-derived MSCs. MSC adipogenic differentiation and maturation within alginate-based three-dimensional constructs were optimized to yield a fat-rich edible engineered tissue. Subsequently, a marble-like construct, composed of engineered bovine adipose and muscle tissues, was fabricated, mimicking inter- and intra-muscular fat structures.
Fine-mapping and identification of candidate causal genes for tail length in the Merinolandschaf breed
Authors: Lagler Dominik Karl , Hannemann Elisabeth , Eck Kim , Klawatsch Jürgen , Seichter Doris , Russ Ingolf , Mendel Christian , Lühken Gesine , Krebs Stefan , Blum Helmut , Upadhyay Maulik , Medugorac Ivica
Published: September 2022

Docking the tails of lambs in long-tailed sheep breeds is a common practice worldwide. But this practice is associated with pain. Breeding for a shorter tail could offer an alternative. Therefore, this study aimed to analyze the natural tail length variation in the Merinolandschaf and to identify causal alleles for the short tail phenotype segregating within long-tailed breeds. We used SNP-based association analysis and haplotype-based mapping in 362 genotyped (Illumina OvineSNP50) and phenotyped Merinolandschaf lambs. Genome-wide significant regions were capture sequenced in 48 lambs and comparatively analyzed in various long and short-tailed sheep breeds and wild sheep subspecies. Here we show a SNP located in the first exon of HOXB13 and a SINE element located in the promotor of HOXB13 as promising candidates. These results enable more precise breeding towards shorter tails, improve animal welfare by amplification of ancestral alleles and contribute to a better understanding of differential embryonic development.
LDLR, LRP1, and Megalin redundantly participate in the uptake of Clostridium novyi alpha-toxin
Authors: Zhou Yao , Li Danyang , Li Diyin , Chen Aizhong , He Liuqing , Luo Jianhua , Tao Liang
Published: September 2022

Clostridium novyi alpha-toxin (Tcnα) is a potent exotoxin that induces severe symptoms including gas gangrene, myositis, necrotic hepatitis, and sepsis. Tcnα binds to sulfated glycosaminoglycans (sGAG) for cell-surface attachment and utilizes low-density lipoprotein receptor (LDLR) for rapid entry. However, it was also shown that Tcnα may use alternative entry receptors other than LDLR. Here, we define that LRP1 and Megalin can also facilitate the cellular entry of Tcnα by employing reconstitutive LDLR family proteins. LDLR, LRP1, and Megalin recognize Tcnα via their ligand-binding domains (also known as LDL receptor type A repeats). Notably, LDLR and LRP1 have contrasting expression levels in many different cells, thus the dominant entry receptor for Tcnα could be cell-type dependent. These findings together increase our knowledge of the Tcnα actions and further help to understand the pathogenesis of C. novyi infection-associated diseases.
Oxynitride-surface engineering of rhodium-decorated gallium nitride for efficient thermocatalytic hydrogenation of carbon dioxide to carbon monoxide
Authors: Li Jinglin , Sheng Bowen , Chen Yiqing , Sadaf Sharif Md. , Yang Jiajia , Wang Ping , Pan Hu , Ma Tao , Zhu Lei , Song Jun , Lin He , Wang Xinqiang , Huang Zhen , Zhou Baowen
Published: September 2022

Upcycling of carbon dioxide towards fuels and value-added chemicals poses an opportunity to overcome challenges faced by depleting fossil fuels and climate change. Herein, combining highly controllable molecular beam epitaxy growth of gallium nitride (GaN) under a nitrogen-rich atmosphere with subsequent air annealing, a tunable platform of gallium oxynitride (GaN1-xOx) nanowires is built to anchor rhodium (Rh) nanoparticles for carbon dioxide hydrogenation. By correlatively employing various spectroscopic and microscopic characterizations, as well as density functional theory calculations, it is revealed that the engineered oxynitride surface of GaN works in synergy with Rh to achieve a dramatically reduced energy barrier. Meanwhile, the potential-determining step is switched from *COOH formation into *CO desorption. As a result, significantly improved CO activity of 127 mmol‧gcat−1‧h−1 is achieved with high selectivity of >94% at 290 °C under atmospheric pressure, which is three orders of magnitude higher than that of commercial Rh/Al2O3. Furthermore, capitalizing on the high dispersion of the Rh species, the architecture illustrates a decent turnover frequency of 270 mol CO per mol Rh per hour over 9 cycles of operation. This work presents a viable strategy for promoting CO2 refining via surface engineering of an advanced support, in collaboration with a suitable metal cocatalyst.
Deep learning-based robust positioning for all-weather autonomous driving
Authors: Almalioglu Yasin , Turan Mehmet , Trigoni Niki , Markham Andrew
Published: September 2022

Interest in autonomous vehicles (AVs) is growing at a rapid pace due to increased convenience, safety benefits and potential environmental gains. Although several leading AV companies predicted that AVs would be on the road by 2020, they are still limited to relatively small-scale trials. The ability to know their precise location on the map is a challenging prerequisite for safe and reliable AVs due to sensor imperfections under adverse environmental and weather conditions, posing a formidable obstacle to their widespread use. Here we propose a deep learning-based self-supervised approach for ego-motion estimation that is a robust and complementary localization solution under inclement weather conditions. The proposed approach is a geometry-aware method that attentively fuses the rich representation capability of visual sensors and the weather-immune features provided by radars using an attention-based learning technique. Our method predicts reliability masks for the sensor measurements, eliminating the deficiencies in the multimodal data. In various experiments we demonstrate the robust all-weather performance and effective cross-domain generalizability under harsh weather conditions such as rain, fog and snow, as well as day and night conditions. Furthermore, we employ a game-theoretic approach to analyse the interpretability of the model predictions, illustrating the independent and uncorrelated failure modes of the multimodal system. We anticipate our work will bring AVs one step closer to safe and reliable all-weather autonomous driving.
Colloidal Au sphere and nanoflower-based immunochromatographic strips for sensitive detection of zearalenone in cereals
Authors: Qiao Weili , He Baoshan , Ren Wenjie , Zhao Renyong , Suo Zhiguang , Yan Haoyang , Xu Yiwei , Wei Min , Jin Huali
Published: September 2022

The AuNFs and AuSPs were successfully synthesized for labeling antibodies. The AuSP-ICS and AuNF-ICS were successfully fabricated for sensitive ZEN detection. The AuNF-ICS exhibited satisfactory sensitivity and specificity.
Dynamic covalent chemistry with azines
Authors: Dascalu Anca-Elena , Halgreen Lau , Torres-Huerta Aaron , Valkenier Hennie
Published: September 2022

Azines provide an attractive balance in dynamic covalent chemistry, with rapid exchange in acidic conditions and good stability in the presence of water.
Hetero-Diels–Alder click reaction of dithioesters for a catalyst-free indirect 18F-radiolabelling of peptides
Authors: Maujean Timothé , Marchand Patrice , Wagner Patrick , Riché Stéphanie , Boisson Frédéric , Girard Nicolas , Bonnet Dominique , Gulea Mihaela
Published: September 2022

The hetero-Diels–Alder reaction involving a dithioester and a radiofluorinated diene as a novel prosthetic group was used as a catalyst-free click-reaction for the indirect 18F-labelling of peptides and applied to a PSMA-ligand for in vivo imaging.
Surface acidity modulates the peroxidase-like activity of nanoclay
Authors: Wang Hao , Sarwar Muhammad Tariq , Bao Wenxin , Tian Luyuan , Yang Huaming
Published: September 2022

A novel surface acidity modulation strategy allows us to obtain modified nanoclay with specific peroxidase (POD)-like catalytic activity.
Ultrathin rhodium nanosheet–gold nanowire nanocomposites for alkaline methanol oxidation reaction
Authors: Sun Bin , Wang Zhe , Yuan Zi-Han , Ding Yu , Li Fu-Min , Zhao Guang-Tao , Li Dong-Sheng , Li Xi-Fei , Chen Yu
Published: September 2022

Electrostatically assembled ultrathin rhodium nanosheet–gold nanowire nanocomposites (Rh–Au CNSs) were used as an advanced electrocatalyst for the methanol oxidation reaction, which revealed a mass activity of 355 mA mgRh−1 at 0.607 V potential.
First principles investigation of anionic redox in bisulfate lithium battery cathodes
Authors: Jha Pawan Kumar , Singh Shashwat , Shrivastava Mayank , Barpanda Prabeer , Sai Gautam Gopalakrishnan
Published: September 2022

Exploring the anionic and cationic redox mechanisms in bisulfate intercalation frameworks for high-energy-density Li-ion batteries using first principles.
pH-Dependent physicochemical properties of ornithine lipid in mono- and bilayers
Authors: Mukhina Tetiana , Pabst Georg , Ruysschaert Jean-Marie , Brezesinski Gerald , Schneck Emanuel
Published: September 2022

Ornithine lipid has a greater tendency than DMPE to form ordered structures and a molecular superlattice based on a hydrogen bonding network between the headgroups.
Distinctly different solvation behaviors of poly(N,N-diethylacrylamide) gels in water/acetone and water/DMSO mixtures
Authors: Liu Biaolan , Yan Xiaoshuang , Zhao Zhihui , Wang Jian , Feng Jiwen
Published: September 2022

Decreasing VPTT immediately after slightly increasing VPTT in water/DMSO mixtures and monotonically increasing VPTT in water/acetone mixtures of poly(N,N-diethylacrylamide) gels are displayed.
Fragmentation of interstellar methanol by collisions with He˙+: an experimental and computational study
Authors: Richardson Vincent , Valença Ferreira de Aragão Emília , He Xiao , Pirani Fernando , Mancini Luca , Faginas-Lago Noelia , Rosi Marzio , Martini Luca Matteo , Ascenzi Daniela
Published: September 2022

A combined experimental and theoretical study demonstrates the presence of stereodynamical effects in the charge exchange reactivity of He˙+ with CH3OH, a key process in the astrochemistry of methanol.
Electronic properties of amino acids and nucleobases: similarity classes and pairing principles from chemical reactivity indices
Authors: Miranda-Quintana Ramón Alain , Smiatek Jens
Published: September 2022

We present a new classification scheme for amino acids and nucleobases by means of conceptual density functional theory calculations.
A crossed molecular beams and computational study on the unusual reactivity of banana bonds of cyclopropane (c-C3H6; ) through insertion by ground state carbon atoms (C(3Pj))
Authors: Galimova Galiya R. , Mebel Alexander M. , Goettl Shane J. , Yang Zhenghai , Kaiser Ralf I.
Published: September 2022

The reaction of C(3Pj) with cyclopropane leads to C4H5 products 1-butyn-4-yl, 1,3-butadien-2-yl (i-C4H5), and 1,3-butadien-1-yl (n-C4H5) plus atomic hydrogen. The results highlight an unusual reactivity of cyclopropane's banana C–C bonds showing a similarity with unsaturated C–C bonds.
The impact of G-quadruplex dynamics on inter-tetrad electronic couplings: a hybrid computational study
Authors: Nandi Samprita , Coane Colin , Villegas Angel-Emilio , Ray Angana , Di Felice Rosa
Published: September 2022

We investigated the structure–function correlation in G-quadruplexes by a combination of molecular dynamics and density functional theory. We propose an effective helix descriptor that embodies the structure correlation with the transfer integral.
A conceptual model of northern midlatitude tropospheric ozone
Authors: Mims Charles A. , Parrish David D. , Derwent Richard G. , Astaneh Mohammad , Faloona Ian C.
Published: September 2022

The average (climatic) seasonal pattern of ozone in the northern mid-latitude troposphere is explained by a very simple model. Reference to such basic models is a valuable tool for the interpretation of complex simulations and measurements.
Nanomaterial-modulated cellular sodium extrusion and vacuolar sequestration for salt tolerance
Authors: Chen Feiran , Zhu Liqi , Tang Junfeng , Wang Chuanxi , Yue Le , Schröder Peter , Wang Zhenyu
Published: September 2022

Nanomaterials can induce plant tolerance to abiotic environmental stresses, whereas the sensing mechanism and the resulting response at the cellular level need further exploration.
Synthesis of a polymeric nanocomposite based on magnetic sepiolite functionalized with an ionic liquid for the adsorption of aromatic pollutants from aqueous solution
Authors: Jahanfarnia Zahra , Tehrani Mohammad Saber , Azar Parviz Aberoomand , Panahi Homayon Ahmad
Published: September 2022

Synthesis process of the SP@CuFe2O4@ATPPC composite and adsorption mechanism.
Holding it together: noncovalent cross-linking strategies for ionogels and eutectogels
Authors: Panzer Matthew J.
Published: September 2022

A focused review of recent designs to realize highly stretchable, self-healing, and nonvolatile gel electrolytes featuring ionic liquids and deep eutectic solvents.
Ambient-pressure ozone treatment enables tuning of oxygen vacancy concentration in the La1−xSrxFeO3−δ (0 ≤ x ≤ 1) perovskite oxides
Authors: Qing Geletu , Thompson David , Benamara Mourad , Heske Clemens , Greenlee Lauren , Chen Jingyi
Published: September 2022

Ambient-pressure ozone treatment can tune oxygenation/deoxygenation reaction kinetics enabling the accessibility of Fe(iv) oxides with nearly zero oxygen vacancy.
Nanoscale biophysical properties of small extracellular vesicles from senescent cells using atomic force microscopy, surface potential microscopy, and Raman spectroscopy
Authors: Lee Hyo Gyeong , Roh Seokbeom , Kim Hyun Jung , Kim Seokho , Hong Yoochan , Lee Gyudo , Jeon Ok Hee
Published: September 2022

An AFM-Raman combined system identifies subtle differences in the biophysical properties of SnC- and non-SnC-derived small extracellular vesicles (sEVs).
Visible-emitting Cu(i) complexes with N-functionalized benzotriazole-based ligands
Authors: Castro Jesús , Ferraro Valentina , Bortoluzzi Marco
Published: September 2022

Bidentate benzotriazole-based N-ligands are suited for the preparation of luminescent heteroleptic copper(i) complexes with noticeable emissions related to 3MLCT transitions.
A thermoresponsive CA-PNIPAM-based electrospun nanofibrous membrane for oil/water separation
Authors: Chauhan Divya , Singh Neha , Afreen Shagufta , Talreja Neetu , Ashfaq Mohammad , Sankararamakrishnan Nalini , Chaudhary Ganga Ram
Published: September 2022

The prepared electrospun CA-P fibrous membrane/mat has the potential ability for high-efficiency oil/water separation.
Networks of as-dispersed, polymer-wrapped (6,5) single-walled carbon nanotubes for selective Cu2+ and glyphosate sensing
Authors: Balcı Leinen Merve , Lindenthal Sebastian , Heimfarth Daniel , Zaumseil Jana
Published: September 2022

Networks of semiconducting single-walled carbon nanotubes (SWNTs) are used as the transducing layer for sensors based on water-gated transistors.
Hexameric poly-fluoroberyllophosphate Na4Be2PO4F5 with moderate birefringence and deep-ultraviolet transmission as a potential zero-order-waveplate crystal
Authors: Yang Yuanyu , Guo Yao , Chen Yi-Gang , Hu Xiwei , Zhang Xia , Zhang Xian-Ming
Published: September 2022

Na4Be2PO4F5 features novel [Be4P2O8F10] hexameric isolated groups, caused due to a cut-off effect from F atoms, and it is an optimal choice to act as a deep-UV zero-order waveplate material.
Tunable thermotropic phase transition triggering large dielectric response and superionic conduction in lead halide perovskites
Authors: Shao Dong-Sheng , Sang Lei , Kong Ya-Ru , Deng Zheng-Rong , Luo Hong-Bin , Tian Zheng-Fang , Ren Xiao-Ming
Published: September 2022

Lead halide perovskites show tunable structural phase transition, accompanied by large dielectric response and superionic conduction.
Thermally crosslinkable second-order nonlinear optical polymer networks: high stability, good transparency, and large second-order nonlinear optical effects
Authors: Deng Xiaocong , Wang Kai , Li Qianqian , Li Zhen
Published: September 2022

A new in situ thermal crosslinking approach was proposed to design second-order nonlinear optical polymer networks through a simple synthetic route, with the combination of the “isolate chromophore” concept.
Metal–organic frameworks and their derivatives for metal-ion (Li, Na, K and Zn) hybrid capacitors
Authors: Zhan Feiyang , Wang Huayu , He Qingqing , Xu Weili , Chen Jun , Ren Xuehua , Wang Haoyu , Liu Shude , Han Minsu , Yamauchi Yusuke , Chen Lingyun
Published: September 2022

This review summarizes the progress of metal–organic frameworks and their derivatives as advanced multifunctional platforms for metal-ion hybrid capacitors.
Polymer dots synergized with a NiO hole transporting layer and poly(amido amine) dendrimer: toward sensitive photocathodic detection of tyrosinase level in serum
Authors: Chen Jia-Hao , Wang Cheng-Shuang , Zhu Yu-Yue , Li Cheng-Jie , Li Cheng-Jun , Kong Fen-Ying , Zhao Wei-Wei , Xu Jing-Juan , Chen Hong-Yuan
Published: September 2022

A unique poly(amido amine) (PAMAM)/polymer dots (Pdots)/NiO heterostructure is developed for photocathodic detection of tyrosinase (TYR), which is applicable to TYR detection in actual human serum samples.
Enhanced electrocatalytic activity of low-cost NiO microflowers on graphene paper for the oxygen evolution reaction
Authors: Bruno Luca , Scuderi Mario , Priolo Francesco , Mirabella Salvo
Published: September 2022

Oxygen evolution reaction driven by NiO microflowers.
Multiferroic BiFeO3-based hydrophobic polymer composites for polarization rationalization-induced piezo-tribo hybrid energy harvesting and versatile self-powered mechanosensing
Authors: Sasmal Abhishek , Patra Aniket , Maity Sourav , Pratihar Shewli , Sen Shrabanee
Published: September 2022

Multiferroic BiFeO3-based polymer composites and their suitable combinations by rationalization of polarization have been utilized to design an efficient piezo-tribo hybrid nanogenerator for real life energy harvesting and sensing applications.
Perovskite photocatalysis: realizing long-lived charge-separated states at the interface of CsPbBr3nanocrystals and functionalized ferrocene molecules
Authors: Singh Siddharth , Mittal Diksha , Gurunarayanan Vinithra , Sahu Ankita , Ramapanicker Ramesh , Govind Rao Vishal
Published: September 2022

We have shown strong coupling-guided interfacial hole transfer dynamics between CsPbBr3perovskite NCs and functionalized ferrocene derivatives. We could achieve a long-lived charge-separated state, which provides an ideal platform for catalysis.
Examination of Consonantal Phonetic Coverage in Standard Reading Passages
Authors: Gurevich Naomi , Kim Heejin
Published: September 2022

Purpose:

To be effective for clinical and research purposes, materials for eliciting speech should have phonetic coverage of a language, which necessarily includes bothphonemiccoverage (including all phonemes) andallophoniccoverage (including positional contexts). The purpose of this work was to quantify allophonic coverage in widely used standard passages.

Method:

A total of 466 allowable contexts for 24 consonants in English were determined by taking into account positional contexts in terms of word positions, lexical stress, and proximity to other phonemes.The Caterpillar, The Grandfather Passage, andThe Rainbow Passagewere analyzed with respect to their phonetic coverage of these allowable contexts.

Results:

The standard passages achieved phonemic coverage, but their phonetic coverage was minimal: 24.89% inThe Caterpillar, 27.25% inThe Grandfather Passage, and 35.84% inThe Rainbow Passage.

Conclusion:

Our analysis of three standard passages suggests the need for new speech materials that provide not only phonemic but also allophonic coverage so that production and perception of consonants can be examined as a function of their positional contexts.
Joint visual template and natural language for robust visual tracking
Authors: Wang Jingchao , Zhang Huanlong , Zhang Jianwei
Published: September 2022

At present, the target of interest in visual tracking is given in the form of a bounding box. Due to the randomness of the target shape, the bounding box may contain a lot of non‐target information. When encountering complex tracking scenarios, the performance of the tracker reduces severely. To address this problem, in this letter, the authors propose a novel tracking framework based on the joint of the visual template and natural language (VNTrack) to alleviate the impact of bounding box ambiguity. Specifically, the authors first use a pre‐trained language model to extract the features of the language description of the target. Then, a feature alignment module is designed to align and enhance the visual template feature and natural language feature. In addition, the authors design a multimodal query module to fuse the visual template, natural language, and search region information. Experimental results over tracking benchmarks with language annotations show that the proposed VNTrack is competitive among the state‐of‐the‐art trackers.
Context‐guided ground truth sampling for multi‐modality data augmentation in autonomous driving
Authors: Shi Peicheng , Qi Heng , Liu Zhiqiang , Yang Aixi
Published: September 2022

Data augmentation is an important pre‐processing step for object detection in 2D image and 3D point clouds. However, studies on multimodal data augmentation are extremely limited compared to single‐modal work. Moreover, simultaneously ensuring consistency and rationality when pasting both image and point cloud samples is a major challenge in multimodal methods. In this study, a novel multimodal data augmentation method based on ground truth sampling (GT sampling) is proposed for generating content‐rich synthetic scenes. A GT database and scene ground database based on the raw training set is initially built, following which the context of the image and point cloud is used to guide the paste location and filtering strategy of the GT samples. The proposed method can avoid the cluttered features caused by random pasting of samples; the image context information can help the model to learn the correlation between the object and the environment more comprehensively, and the point cloud context information can reduce occlusion in the case of long‐distance objects. The effectiveness of the proposed strategy is demonstrated on the publicly available KITTI dataset. Utilizing the multimodal 3D detector MVXNet as an implementation tool, our experiments evaluate different superimposition strategies ranging from context‐free sample pasting methods to context‐guided new training scenes. In comparison with existing GT sampling methods, our method exhibits a relative performance improvement of 15% on benchmark datasets. In ablation studies, our sample pasting strategy achieves a +2.81% gain compared with previous work. In conclusion, considering the multimodal context of modelled objects is crucial for placing them in the correct environment.
Performance enhancement of dual‐polarised dipole antenna using parasitic elements
Authors: Wang Lei , Zhang Rui , En Yunfei , Zhu Zhangming
Published: September 2022

In this paper, a differentially fed broadband dual‐polarised dipole antenna with parasitic elements is proposed. The presented antenna comprises a pair of strip dipoles as driven elements, four square patches as internal parasitic elements, four rectangular patches with cut corners as external parasitic elements, and two pairs of coaxial cables as feeding structures placed orthogonally to excite the driven strip dipoles to achieve ±45° dual polarisation. Furthermore, two additional dual‐polarisation modes can be simulated and a broadband dual‐polarised antenna can be obtained by positioning the external and internal parasitic elements to the end and at the edge of driven elements, respectively. The presented antenna provides wide bandwidth using these dual‐polarisation modes. The measurement results indicate that the presented antenna has excellent characteristics with a wide impedance bandwidth (IBW) of 68.4% (|Sdd11| < −18 dB and 1.30–2.65 GHz) and high isolation (|Sdd21| < −30 dB) within the IBW. Additionally, the four‐element array of the broadband dual‐polarised antenna with differential feeding characteristics was designed. The results show that the measured IBW is 59.7% (|Sdd11| < −15dB and 1.35–2.50 GHz). By contrast, the isolation between the two ports exceeds 30 dB across the impedance passband and has potential applications in multiple wireless communication systems owing to the wide bandwidth coverage (frequency division duplexing (FDD), digital communication system (DCS), personal communication system (PCS), Universal Mobile Telecommunications System (UMTS), and Long Term Evolution (LTE) frequency bands).
Application of convolution neural networks‐based hierarchical perception technology in 3D clothing designs
Authors: Hong Yu
Published: September 2022

The purpose of this research is to solve the problems in the modern life, such as the inconvenience caused by fast life pace, the need to save time, the unsatisfactory products for consumers, the low brand awareness in the clothing industry, serious product homogenisation and low life quality. The study of the application of hierarchical perception technology in 3D (three‐dimensional) clothing designs is carried out based on CNN (convolutional neural networks). The study includes the training of CNN, the selection of 3D clothing models and 2D (two‐dimensional) projection of 3D human body models. A simulation experiment is conducted by taking 49‐year‐old males, 22‐year‐old males and 50‐year‐old females as research objects. The findings show that the training network can effectively identify the typical lines of the human's hindneck, chest, shoulders, and waist, and the accuracy of the front and side recognition of the human body can be reached as high as 93% on average. The effective identification of human characteristics is achieved. The study has an important impact on the technical field and clothing industry and also has profound theoretical and practical significance.
An ant colony genetic fusion routing algorithm based on soft define network
Authors: Zhao Kaixin , Wei Yong , Zhang Yang
Published: September 2022

Aiming at the problem that there are many paths in data forwarding in soft define network (SDN) network, and the optimal path is difficult to find, combined with the advantages of ant colony algorithm and Genetic algorithm (GA), a routing control strategy based on the ant colony genetic fusion algorithm is proposed. This algorithm absorbs the advantages of high speed in the early stage of GA search and high efficiency in the late stage of ant colony algorithm search; the improved ant colony genetic fusion algorithm is applied to the SDN routing process for simulation tests. The simulation experiment shows that the throughput and link utilization of the proposed algorithm are about 30% higher than that of the single optimal particle swarm optimization algorithm.
Is the mm/submm dust polarization a robust tracer of the magnetic field topology in protostellar envelopes? A model exploration
Authors: Valdivia Valeska , Maury Anaëlle , Hennebelle Patrick
Published: September 2022

Context.High-resolution millimeter and submillimeter (mm and submm) polarization observations have opened a new era in the understanding of how magnetic fields are organized in star forming regions, unveiling an intricate interplay between the magnetic fields and the gas in protostellar cores. However, to assess the role of the magnetic field in the process of solar-type star formation, it is important to understand to what extent the polarized dust emission is a good tracer of the magnetic field in the youngest protostellar objects.

Aims.In this paper, we present a thorough investigation of the fidelity and limitations of using dust polarized emission to map the magnetic field topologies in low-mass protostars.

Methods.To assess the importance of these effects, we performed an analysis of magnetic field properties in 27 realizations of magnetohydrodynamics (MHD) models following the evolution of physical properties in star-forming cores. Assuming a uniform population of dust grains the sizes of which follow the standard MRN size distribution, we analyzed the synthetic polarized dust emission maps produced when these grains align with the localB-field because of radiative torques (B-RATs).

Results.We find that mm and submm polarized dust emission is a robust tracer of the magnetic field topologies in inner protostellar envelopes and is successful at capturing the details of the magnetic field spatial distribution down to radii ~100 au. Measurements of the line-of-sight-averaged magnetic field line orientation using the polarized dust emission are precise to <15° (typical of the error on polarization angles obtained with observations from large mm polarimetric facilities such as ALMA) in about 75%–95% of the independent lines of sight that pass through protostellar envelopes. Large discrepancies between the integratedB-field mean orientation and the orientation reconstructed from the polarized dust emission are mostly observed in (i) lines of sight where the magnetic field is highly disorganized and (ii) those that probe large column densities. Our analysis shows that the high opacity of the thermal dust emission and low polarization fractions could be used to avoid using the small fraction of measurements affected by large errors.
Das Netzwerk seltene Osteopathien – Live und in Farbe!
Authors: Siggelkow Heide , Barvencik Florian
Published: September 2022

Die Freude war groß, als die Mitglieder des Netzwerkes seltene Osteopathien NetsOs in Frankfurt wieder in Präsenz zu ihrem Netzwerk-Meeting zusammenkommen konnten. Trotz der Covid-19 Pandemie wurden durch regelmäßige Online-Treffen die NetsOs-Projekte weiter vorangebracht, aber für die geplante Wahl der neuen Sprecher*innen war ein persönliches Zusammentreffen viel besser geeignet.
Die Bedeutung der interdisziplinären Zusammenarbeit in der Behandlung von Knochentumoren und deren sozioökonomische Relevanz
Authors: Hardes Jendrik , Vieth Volker , Streitbürger Arne , Hartmann Wolfgang
Published: September 2022

Einleitung

Die interdisziplinäre Zusammenarbeit war in der Medizin schon immer von enormer Wichtigkeit. Der Wissensfortschritt in der modernen Medizin inklusive des unaufhaltsamen Trends zu Subspezialisierungen macht es für den jeweiligen Facharzt heutzutage unmöglich, die jeweiligen „Partnerdisziplinen“ erschöpfend zu überblicken. Das in der Vergangenheit erlangte Studienwissen bezüglich anderer Fachgebiete ist in vielen Bereichen nicht mehr aktuell. Somit bestand und besteht keine Alternative zu interdisziplinärer Zusammenarbeit. Durch diese entsteht zum einen ein Mehrwert für den behandelnden Arzt, zum anderen – viel wichtiger – für die zu behandelnden Patienten.
Rhabdomyolysis following Nuss Procedure: A Prospective Study in Children
Authors: Estefanía Karla , Serradilla Javier , Ramirez Carla , Velayos Maria , Muñoz-Serrano Antonio Jesus , Durán Pilar , Fernández Carlota , Hernandez Francisco , De la Torre Carlos
Published: September 2022

Introduction Postoperative rhabdomyolysis (RML) has been documented after several surgical procedures in adults. Musculoskeletal remodeling after Nuss procedure for pectus excavatum (PE) could cause RML. We evaluated the incidence of RML after Nuss procedure in children.

Methods This study was a prospective study from 2018 to 2021. We enrolled all otherwise healthy patients who underwent PE correction with only one bar. Studied variables included demographic and clinical data, duration of surgery, complications, and length of hospitalization. The patients included underwent serial measurements of serum creatine kinase (CK), troponin I, N terminal pro B-type natriuretic peptide (NT-proBNP), serum creatinine, urea, and glomerular filtration rate at 6 and 48 hours postoperatively, and hospital discharge.

Results Forty-six patients met criteria (40 males/6 females), with a mean age of 15.1 ± 1.4 years. Mean duration of surgery was 74 ± 28 minutes, and length of hospitalization was 4.6 ± 1.6 days. RML was diagnosed in 30.4% of patients at 6 hours, 91.3% at 48 hours, and 21.7% at hospital discharge. Mean preoperative CK value was 181.1 ± 141.6 IU/L, and postoperative values were 863.3 ± 302.6 IU/L at 6 hours, 1,675.2 ± 561 IU/L at 48 hours, and 850 ± 683.7 IU/L at hospital discharge, with statistically significant differences (p = 0.001). High-sensitivity troponin I and NT-proBNP levels increased significantly during the postoperative time (p = 0.001). Renal function remained stable (p = 0.55).

Conclusion Nuss technique produces RML without kidney injury in healthy patients. This knowledge should be considered for patients at increased risk of developing acute kidney injury and other complications.
Hyponatremia after Autologous Breast Reconstruction: A Cohort Study Comparing Two Fluid Management Protocols
Authors: Ruccia Francesca , Savage Jessica Anne , Sorooshian Parviz , Lees Matthew , Fesatidou Vasiliki , Zoccali Giovanni
Published: September 2022

Background Perioperative fluid management is an important component of enhanced recovery pathways for microsurgical breast reconstruction. Historically, fluid management has been liberal. Little attention has been paid to the biochemical effects of different protocols. This study aims to reduce the risk of postoperative hyponatremia by introducing a new fluid management protocol.

Methods A single-institution cohort study comparing a prospective series of patients was managed using a new “modestly restrictive” fluid postoperative fluid management protocol to a control group managed with a “liberal” fluid management protocol.

Results One-hundred thirty patients undergoing microsurgical breast reconstruction, at a single institution during 2021, are reported. Hyponatremia is demonstrated to be a significant risk with the original liberal fluid management protocol. At the end of the first postoperative day, mean fluid balance was +2,838 mL (± 1,630 mL). Twenty-four patients of sixty-five (36%) patients had low blood sodium level, 14% classified as moderate-to-severe hyponatremia. Introducing a new, “modestly-restrictive” protocol reduced mean fluid balance on day 1 to +844 mL (±700) (p ≤ 0.0001). Incidence of hyponatremia reduced from 36 to 14% (p = 0.0005). No episodes of moderate or severe hyponatremia were detected. Fluid intake, predominantly oral water, between 8am and 8pm on the first postoperative day is identified as the main risk factor for developing hyponatremia (odds ratio [OR]: 7; p = 0.019). Modest fluid restriction, as guided by the new protocol, protects patients from low sodium level (OR: 0.25; confidence interval: 95%; 0.11–1.61; p = 0.0014).

Conclusion The original “liberal” fluid management protocol encouraged unrestricted postoperative oral intake of water. Patients were often advised to consume in excess of 5 L in the first 24 hours. This unintentionally, but frequently, was associated with moderate-to-severe hyponatremia. We present a new protocol characterized by early cessation of intravenous fluid and an oral fluid limit of 2,100 mL/day associated with a significant reduction in the incidence of hyponatremia and fluid overload.
Bending Pyrenacenes to Fill Gaps in Singlet-Fission-Based Solar Cells
Authors: Cruz Carlos M. , Walsh Joshua C. , Juríček Michal
Published: September 2022

Singlet fission is envisaged to enhance the efficiency of single-junction solar cells beyond the current theoretical limit. Even though sensitizers that undergo singlet fission efficiently are known, characteristics like low-energy triplet state or insufficient stability restrict their use in silicon-based solar cells. Pyrenacenes have the potential to overcome these limitations, but singlet-fission processes in these materials is outcompeted by excimer formation. In this work, bent pyrenacenes with a reduced propensity to stack and thus form excimers are computationally evaluated as singlet-fission materials. The energies of the S1, T1 and T2 states were estimated in a series of bent pyrenacenes by means of time-dependent density functional theory calculations. Our results show the opposite trend observed for perylene diimides, namely, an increase in the energy of the T1 and S1 states upon bending. In addition, we show that the energy levels can be tuned on demand by manipulating the bend angle to match the energy gap of various semiconductors that can be used in single-junction solar cells, making pyrenacenes promising candidates for singlet fission.
Psychosocial Impact of Malocclusion and Self-Perceived Orthodontic Treatment Need among Young Adult Dental Patients
Authors: Ben Gassem Afnan A. , Aldweesh Aljazi H. , Alsagob Eman I. , Alanazi Aljawharah M. , Hafiz Arwa M. , Aljohani Rahaf S. , Kurdi Yara E. , Abu Hammad Osama
Published: September 2022

Objectives To investigate the psychosocial impact of malocclusion and self-rated and clinician-rated orthodontic treatment need on young adult patients in the Western Province of Saudi Arabia.

Materials and Methods Eighteen- to 30-year-old patients (n=355) attending a tertiary dental care facility were included. Three instruments were used for data collection: (1) Psychosocial Impact of Dental Aesthetic Questionnaire (PIDAQ), (2) aesthetic component of the Index of Orthodontic Treatment Need (IOTN-AC), self-rated and clinician-rated, and (3) clinician-rated Dental Aesthetic Index (DAI). Data analysis included descriptive statistics, Kruskal–Wallis test, Mann–Whitney U-test, and multiple linear regression analysis.

Results Females were significantly more impacted than males on all domains with the exception of the dental self-consciousness domain. For both the self-rated and clinician-rated IOTN and the DAI, it was found that the more severe the malocclusion, the higher the impact on all domains except for the dental self-confidence domain, which showed that patients with mild malocclusions were more affected than those with moderate and severe malocclusions. Significant associations were observed between independent variables (age, sex, self-rated IOTN, and DAI) and total PIDAQ score.

Conclusions Perceived psychosocial impact of dental aesthetics is directly related to severity of malocclusion (self-rated and clinician-rated) for all domains of the PIDAQ accept the DSC, and females showed higher psychosocial impact than males. Clinicians should consider the impact of malocclusion and certain demographic characteristics on the psychosocial well-being of an individual when determining the orthodontic treatment need.