bluuebunny/crossref_metadata_2025 huggingface dataset:
Metals of Deep Ocean Water Increase the Anti-Adipogenesis Effect of Monascus-Fermented Product via Modulating the Monascin and Ankaflavin Production
Authors: Lung Tzu-Ying , Liao Li-Ya , Wang Jyh-Jye , Wei Bai-Luh , Huang Ping-Yi , Lee Chun-Lin
Published: May 2016

Deep ocean water (DOW) obtained from a depth of more than 200 m includes abundant nutrients and minerals. DOW was proven to positively increase monascin (MS) and ankaflavin (AK) production and the anti-adipogenesis effect of Monascus-fermented red mold dioscorea (RMD). However, the influences that the major metals in DOW have on Monascus secondary metabolite biosynthesis and anti-adipogenesis remain unknown. Therefore, the major metals in DOW were used as the culture water to produce RMD. The secondary metabolites production and anti-adipogenesis effect of RMD cultured with various individual metal waters were investigated. In the results, the addition of water with Mg, Ca, Zn, and Fe increased MS and AK production and inhibited mycotoxin citrinin (CT). However, the positive influence may be contributed to the regulation of pigment biosynthesis. Furthermore, in the results of cell testing, higher lipogenesis inhibition was seen in the treatments of various ethanol extracts of RMD cultured with water containing Mg, K, Zn, and Fe than in those of RMD cultured with ultra-pure water. In conclusion, various individual metals resulted in different effects on MS and AK productions as well as the anti-adipogenesis effect of RMD, but the specific metals contained in DOW may cause synergistic or comprehensive effects that increase the significantly positive influence.
Embedded Implementation of VHR Satellite Image Segmentation
Authors: Li Chao , Balla-Arabé Souleymane , Ginhac Dominique , Yang Fan
Published: May 2016

Processing and analysis of Very High Resolution (VHR) satellite images provide a mass of crucial information, which can be used for urban planning, security issues or environmental monitoring. However, they are computationally expensive and, thus, time consuming, while some of the applications, such as natural disaster monitoring and prevention, require high efficiency performance. Fortunately, parallel computing techniques and embedded systems have made great progress in recent years, and a series of massively parallel image processing devices, such as digital signal processors or Field Programmable Gate Arrays (FPGAs), have been made available to engineers at a very convenient price and demonstrate significant advantages in terms of running-cost, embeddability, power consumption flexibility, etc. In this work, we designed a texture region segmentation method for very high resolution satellite images by using the level set algorithm and the multi-kernel theory in a high-abstraction C environment and realize its register-transfer level implementation with the help of a new proposed high-level synthesis-based design flow. The evaluation experiments demonstrate that the proposed design can produce high quality image segmentation with a significant running-cost advantage.
Developing a Leadership Program Trajectory
Authors: Bleich Michael R.
Published: May 2016

From a program development perspective, leadership goals and content are best developed over time, with an aim to help nurses mature into their capacity to lead. Leadership often is encouraged in new nurses or in those who seek management positions. Professional development educators are encouraged to enact leadership development across a career continuum.

J Contin Educ Nurs.
2016;47(6):250–252.
Design Appropriate Models Based on Intelligent Dimension in Fars Education Organization
Authors: Goodarzi Shahbaz , Fallah Vahid , Saffarian Saeid
Published: May 2016

The purpose of this study is to determine the dimensions of smart schools in the Fars education system and provide a suitable model. The research method is descriptive survey. The study population consisted of all school principals Fars Province in the academic 2014-2015 and number of them was 1364. The sample volume using Cochran method was 302 people, which was chosen by cluster. In order to achieve the objectives of the study, beginning with a review of literature and research in Iran and world history questionnaire has 4 dimensions (infrastructure, human resources, process of teaching-learning, management) and 12 elements (hardware, software, physical, administrators, teachers, students, parents, curriculum, teaching methods, content, support, evaluation) and consists of 83 items based on LIKERT scale was adjusted. The validity of based on (judicial authorities, supervisors and advisors) and reliability through Cronbach’s alpha was calculated 0.98.

After the distribution and questionnaires, data using statistical indicators and the percentage distribution, confirmatory factor analysis and structural equation modeling at 95% with SPSS 21 software and LISREL 8.8 were analyzed. Findings showed that all aspects have been confirmed and significantly (P<0.05) are above average. In all cases, the load factor smart component of education indicators are approved. In dimensions of infrastructure, human resources, process of teaching-learning and management factor loadings are 0.88, 0.43, 0.85 and 0.83, respectively. Selected references valid and dimensions of these smart to have a good education with a view to confirming the standard model coefficients derived by fitting indicators to measure structural equation modeling.
Green Marketing Activities to Support Corporate Reputation on a Sample from Turkey
Authors: Bati Ugur
Published: May 2016

In today’s world of competition, companies are under pressure to produce environment-friendly products and services. As consumers get more sensitive on environment protection, their purchasing behavior develop on that direction as well as. Under these circumstances, a concept called “green marketing” is widely discussed in both academic and industrial circles. Green marketing is basically the promotion of environmentally safe and beneficial products; it also includes the development of ecologically safer products, recyclable packaging, green promotion activities and green labels. Moreover, it’s claimed that there is a correlation between green marketing and good corporate recognition.

The purpose of the study is to investigate relationship between green marketing activities and corporate reputation on the sample of Aygaz, one of the most important energy and LPG Companies in Turkey. For this purpose, a well-prepared questionnaire complying with the literature was carried out on 526 participants who are automobile drivers in different regions of Turkey. Research data is evaluated in the program of SPSS with t-test, factor, frequency, correlation and variance analyses. According to the results of the field study, 87.3% of the consumers have stated that there is a relationship between the green marketing activities and the corporate recognition. In the research results we do not reveal any direct relation between the consumers’ purchase preferences and green marketing practices in the sample of Aygaz brand.
Radiation-Associated Secondary Cancer in Patients With Breast Cancer Harboring TP53 Germline Variants
Authors: Cederquist Gustav Y. , Boe Lillian A. , Walsh Michael , Freedman Gary M. , Maxwell Kara N. , Taunk Neil , Braunstein Lior Z.
Published: September 2024

This cohort study examines the risk of radiation-associated sarcoma in patients with breast cancer harboring germline TP53 variants.
Quinone chemistry in respiratory complex I involves protonation of a conserved aspartic acid residue
Authors: Harter Caroline , Melin Frédéric , Hoeser Franziska , Hellwig Petra , Wohlwend Daniel , Friedrich Thorsten
Published: September 2024

Respiratory complex I is a central metabolic enzyme coupling NADH oxidation and quinone reduction with proton translocation. Despite the knowledge of the structure of the complex, the coupling of both processes is not entirely understood. Here, we use a combination of site‐directed mutagenesis, biochemical assays, and redox‐induced FTIR spectroscopy to demonstrate that the quinone chemistry includes the protonation and deprotonation of a specific, conserved aspartic acid residue in the quinone binding site (D325 on subunit NuoCD in Escherichia coli). Our experimental data support a proposal derived from theoretical considerations that deprotonation of this residue is involved in triggering proton translocation in respiratory complex I.
Co‐extrusion of Nb–1Zr Powder for the Production of a Biocompatible High‐Strength Material for Dental Implants
Authors: Schleich Julian‐Tobias , Hahn Luise , Pott Philipp‐Cornelius , Maier Hans Jürgen , Klose Christian
Published: September 2024

Many metallic implant materials, such as Ti–6Al–4V, contain elements that are now considered to be critical and have high Young's modulus compared to the human bone, leading to stress shielding. Nb–1Zr alloys, which are free of toxic elements and feature Young's modulus closer to human bone, present a promising alternative. The present study investigates the co‐extrusion of a biocompatible Nb–1Zr powder for potential use in dental implants. A process chain to coextrude Nb–1Zr powder into a solid body was developed, focusing on eliminating core fractures and reducing void fraction. Experimental parameters, including die angle, preheating temperature, and extrusion ratio, were optimized to achieve a continuous Nb–1Zr core. Metallographic analysis and mechanical testing reveal that profiles extruded at 1275 °C exhibit the most favorable properties, with a minimal void fraction of 0.003%, good compressive strength of 457 MPa, and microhardness of 180 HV 1. Controlled oxidation of the powder further enhances hardness to 501 HV 1, achieving values similar to Ti–6Al–4V. The findings demonstrate the feasibility of producing high‐strength, biocompatible Nb–1Zr profiles through optimized co‐extrusion processes.
Highly Selective Ammonia Detection in NiO‐Functionalized Graphene Micropatterns for Beef Quality Monitoring
Authors: Kim Seungsoo , Kim Yeonhoo , Kim Jaehyun , Kim Seung Ju , Kim Taehoon , Sim Jaegun , Jun Sang Eon , Lim Jiheon , Eom Tae Hoon , Lee Hyeong Seok , Lee Gwan‐Hyoung , Hong Byung Hee , Oh Mi‐Hwa , Huh Yun Suk , Jang Ho Won
Published: September 2024

Graphene has emerged as one of the most promising materials for next‐generation gas sensor platforms due to its high flexibility, transparency, and hydrophobicity. However, graphene shows inherent low selectivity in gas sensing. This has led to extensive development of noble‐metal decoration on graphene to modulate its surface chemistry for enhanced selectivity. While noble metals such as Pt, Pd, and Au have widely been employed to functionalize graphene surface, non‐noble metal decoration of graphene has remained underexplored. Here, an unprecedented room‐temperature self‐activated graphene gas sensor functionalized by NiO nanoparticles and its application to wearable devices monitoring ammonia gas in daily life are demonstrated. NiO‐functionalized graphene micropatterns show ultra‐high selectivity to ammonia with a low detection limit of 2.547 ppt. Density functional theory (DFT) calculations reveal that the strong attraction between NiO and NH3 induced by charge depletion and the vertex region of NiO accelerate the adsorption of NH3 molecules. Furthermore, a wearable graphene device demonstrates the capability to detect ammonia emissions from beef, triggering an alarm call when a specific threshold is exceeded. This work proposes the functionalization of graphene with transition metal oxides, extending beyond the conventional noble metal decoration, and the potential utilization of the graphene for wearable devices.
Shear Stiffening‐Based Mechanoluminescent Device for Impact‐Thermal Coupling Protection and Impact Visualization
Authors: Duan Shilong , Sang Min , Chen Hong , Pan Yucheng , Liu Shuai , Li Zimu , Hu Zhihao , Zhang Zhentao , Gong Xinglong
Published: September 2024

Intelligent impact‐protection wearable devices often require intricate circuitry to operate, which hinders the timely display of impact‐related injuries. Consequently, it is imperative to develop intelligent protective materials that are self‐sufficient and capable of visualization. In this work, the impact protection material shear‐stiffening gel (SSG) is combined with the mechanoluminescent (ML) material ZnS:Cu/PDMS@SiO2 to create ML‐SSG. This material embodies various protective features, including impact protection, force visualization, flame resistance, and long‐distance passive control, making it ideal for intelligent wearable devices. In light of the significant shear stiffening effect of SSG, ML‐SSG effectively dissipates up to 80% of the impact energy and exhibits excellent impact resistance. Concurrently, ML‐SSG is also capable of visualizing impact injuries, displaying and warning in real‐time via mechanoluminescence, and assessing the impact force based on the intensity of mechanoluminescence. The incorporation of SiO2 and ZnS:Cu has resulted in ZnS:Cu/PDMS@SiO2 with remarkable flame‐retardant property. This innovative material significantly improves the performance of ML‐SSG in complex environments. In addition, ML‐SSG realizes human–computer interaction through neural network based on mechanoluminescence display characteristics. This research significantly expands the potential applications of multifunctional protective materials in various complicated environments, thereby promoting the development of wearable protective devices.
Design Strategies for High Performance of Proton Exchange Fuel Cells with Ti‐Sputtered Carbon Nanotube Sheet Functional Layer
Authors: Oh Hyoun‐myoung , Park Junghyun , Park Gyutae , Baek Jiwon , Youn Junseo , Yang Seonghyeon , Na Juho , Kim Dongjin , Lim Jooyoung , Lee Hosin , Jeong Youngjin , Park Taehyun
Published: September 2024

Optimizing both performance and stability under varying relative humidity (RH) conditions is crucial for proton exchange membrane fuel cells (PEMFCs). Therefore, effective management of mass transfer and water is an essential key factor. To further improve performance and stability, this paper reports a novel PEMFC design strategy that introduces carbon nanotube (CNT) sheets with titanium (Ti) deposited onto them as an additional functional layer using the sputtering method. The Ti‐CNT (as Ti‐deposited CNT is abbreviated to Ti‐CNT) sheets are inserted between the catalyst layer (CL) and the gas diffusion layer (GDL). This exhibit enhances performance across all testing conditions (25‐100% RH), which is attributed to their optimal pore structure and hydrophilic properties. It shows up to ≈94% higher power density and ≈60% improvement in charge transfer resistance compared to conventional. Moreover, stability tests conducted under a constant voltage demonstrated that this innovative design strategy significantly reduced degradation, thereby proving its superior stability. This novel design strategy of inserting Ti‐CNTs as a functional layer improves electrochemical performance and stability.
Fault‐Tolerant and On‐Demand Supra Tough Adhesive Natural Albumin‐Based Organohydrogels
Authors: Chen Hong , Yang Jia , Liu Zhuangzhuang , Li Yiying , Tang Ziqing , Shi Xinlei , Chen Qiang
Published: September 2024

Adhesive hydrogels play a crucial role in numerous applications across fields such as wound dressing, biomedical implants, and flexible electronics. Despite recent efforts on hydrogel design, reconciling the conflicting requirements of adaptability to rough surfaces and intrinsic strength remains elusive for self‐adhesive hydrogels. To address this challenge, a novel strategy is proposed where conformal contact between hydrogels and solids is initially established in a weak state, followed by reinforcement to enhance strength and toughness. Illustrating this approach, bovine serum albumin (BSA) is employed to incorporate a flexible synthetic polymer network, resulting in soft and adhesive organohydrogels (OHGs) with instantaneous and reversible adhesion on various substrates, providing fault‐tolerant operation convenience. A brief on‐demand heating step transforms them into a strong and supra‐adhesive state by forming a rigid BSA network and establishing a double network (DN) structure. The resulting BSA based DN OHGs demonstrate remarkably enhanced bulk mechanical strength and exceptional interfacial toughness on diverse nonporous solid substrates, allowing for on‐demand permanent fixation. This approach integrates fault‐tolerance and permanent fixation into a single material, highlighting the potential of these natural albumin based OHGs as advanced functional materials for diverse applications, including artisanal restoration, and all‐season flexible sensors.
An Environmentally Stable, Biocompatible, and Multilayered Wound Dressing Film with Reversible and Strong Adhesion
Authors: Chen Baohong , He Bingzhi , Tucker Alexander M. , Biluck Ian , Leung Thomas H. , Schaer Thomas P. , Yang Shu
Published: September 2024

Reversible adhesives for wound care improve patient experiences by permitting reuse and minimizing further tissue injury. Existing reversible bandages are vulnerable to water and can undergo unwanted deformation during removal and readdressing procedures. Here, a biocompatible, multilayered, reversible wound dressing film that conforms to skin and is waterproof is designed. The inner layer is capable of instant adhesion to various substrates upon activation of the dynamic boronic ester bonds by water; intermediate hydrogel layer and outer silicone backing layer can enhance the dressing's elasticity and load distribution for adhesion, and the silicone outer layer protects the dressing from exposure to water. The adhesive layer is found to be biocompatible with mouse skin. Skin injuries on the mouse skin heal more rapidly with the film compared to no dressing controls. Evaluations of the film on skin of freshly euthanized minipigs corroborate the findings in the mouse model. The film remains attached to skins without delamination despite subjecting to various degrees of deformation. Exposure to water softens the film to allow removal from the skin without pulling any hair off. The multilayered design considers soft mechanics in each layer and will offer new insights to improve wound dressing performance and patient comfort.
Universal Ensemble‐Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structures
Authors: Hung Nguyen Tuan , Okabe Ryotaro , Chotrattanapituk Abhijatmedhi , Li Mingda
Published: September 2024

Optical properties in solids, such as refractive index and absorption, hold vast applications ranging from solar panels to sensors, photodetectors, and transparent displays. However, first‐principles computation of optical properties from crystal structures is a complex task due to the high convergence criteria and computational cost. Recent progress in machine learning shows promise in predicting material properties, yet predicting optical properties from crystal structures remains challenging due to the lack of efficient atomic embeddings. Here, Graph Neural Network for Optical spectra prediction (GNNOpt) is introduced, an equivariant graph‐neural‐network architecture featuring universal embedding with automatic optimization. This enables high‐quality optical predictions with a dataset of only 944 materials. GNNOpt predicts all optical properties based on the Kramers‐Krönig relations, including absorption coefficient, complex dielectric function, complex refractive index, and reflectance. The trained model is applied to screen photovoltaic materials based on spectroscopic limited maximum efficiency and search for quantum materials based on quantum weight. First‐principles calculations validate the efficacy of the GNNOpt model, demonstrating excellent agreement in predicting the optical spectra of unseen materials. The discovery of new quantum materials with high predicted quantum weight, such as SiOs, which host exotic quasiparticles with multifold nontrivial topology, demonstrates the potential of GNNOpt in predicting optical properties across a broad range of materials and applications.
Capping Ligand Engineering of Cadmium‐Free AIZS Quantum Dots Toward Bright Electroluminescent Light‐Emitting Diodes by All‐Solution Process
Authors: Liu Yongfeng , Wang Xinyi , Gao Zhaoju , Yu Wenbin , Yang Jinpeng , Xu Feng , Pei Wei , Wang Jia , Zhou Min
Published: September 2024

Cadmium‐free AgInZnS (AIZS) quantum dots (QDs) have garnered significant research interest for applications in light‐emitting diodes (LEDs); however, their performance remains limited by insulating long‐chain ligands. In this study, highly fluorescent orange‐emitting AIZS QDs are synthesized by replacing long‐chain 1‐dodecanethiol (DDT) with short‐chain 1‐octanethiol (OTT), achieving photoluminescence quantum yields of up to 80% in solution and 60% in film. The incorporation of OTT in combination with oleic acid and oleylamine as co‐capping ligands enabled excellent dispersion of the QDs in non‐polar solvents. The resulting OTT‐capped AIZS QDs exhibited improved film smoothness and reduced nonradiative recombination. Furthermore, all‐solution‐processed QD light‐emitting diodes (QLEDs) are fabricated comprising indium tin oxide/poly(3,4‐ethylenedioxythiophene) polystyrene sulfonate/hole transporting layer/AIZS QDs/ZnO electron transporting layer/Al. The effects of OTT capping and the thickness of the AIZS emitting layer on device performance are systematically evaluated. As a result, the QLEDs demonstrated enhanced luminance and current efficiency, reaching 515 cd m−2 and 0.4 cd A−1 respectively, representing improvements of over 50% and 33% compared to devices utilizing DDT‐capped AIZS QDs. This study presents a facile and effective approach for developing high‐brightness AIZS QLEDs.
Breakthrough Conductivity Enhancement in Deep Eutectic Solvents via Grotthuss‐Type Proton Transport
Authors: Prado Desiree Mae , Robledo Alan , Hightower Katherine , Jahng Anthony , Doherty Brian , Poling Kayla , Tuckerman Mark , Burda Clemens
Published: September 2024

There is an increasing demand for the development of ion‐conducting electrolytes for energy storage systems. Much attention is directed toward deep eutectic solvents as potential candidates. In the search for highly conductive systems, the possibility of designing deep eutectic solvents with Grotthuss‐type proton transport is widely overlooked. Herein, ethaline, a mixture of choline chloride and ethylene glycol is used in a 1:2 molar ratio, to induce a significant conductivity increase with the addition of water and sulfuric acid (H2SO4). The achieved breakthrough conductivity is analyzed experimentally and simulated with ab initio molecular dynamics (AIMD). At sufficient water content, an H‐bonding network is formed that leads to a significant breakthrough conductivity based on H2SO4‐derived proton transfer following the long‐established Grotthuss proton transport mechanism. This result is substantiated by the positive deviation from the ideal KCl line in the Walden plot. Specifically, the data series positioned above the reference line indicates a Grotthuss mechanism in action. The AIMD simulations demonstrate proton transfer between water and ethylene glycol, supported by simulation frames captured at various times.
Construction of Fused Azacyclic Systems via Cascade Cyclizations of Vinyl Sulfonium Salts
Authors: Zhu Yannan , Wang Wei , Guo Shanshan , Ye Xinxin , Fang Bo , Qi Gang
Published: September 2024

In this work cascade cyclizations of vinyl sulfonium salts with either indolyl chalcones or ortho‐amino trifluoroacetophenones are described. This protocol enables the assembly of fused 2,3‐dihyro‐1H‐pyrrolo[1,2‐a]indoles and fused tetrahydroquinolines containing a CF3‐substituted tetrasubstituted carbon stereocenters.
Mitochondrial tRNAGlu 14693A > G Mutation, an “Enhancer” to the Phenotypic Expression of Leber's Hereditary Optic Neuropathy
Authors: Jin Lihao , Gan Dingyi , He Wentao , Wu Na , Xiang Shuchenlu , Wei Yinsheng , Eriani Gilbert , Ji Yanchun , Guan Min‐Xin , Wang Meng
Published: September 2024

Leber's hereditary optic neuropathy (LHON), a maternally inherited ocular disease, is predominantly caused by mitochondrial DNA (mtDNA) mutations. Mitochondrial tRNA variants are hypothesized to amplify the pathogenic impact of three primary mutations. However, the exact mechanisms remained unclear. In the present study, the synergistic effect of the tRNAGlu 14693A > G and ND6 14484T > C mutations in three Chinese families affected by LHON is investigated. The m.14693A > G mutation nearly abolishes the pseudouridinylation at position 55 of tRNAGlu, leading to structural abnormalities, decreased stability, aberrant mitochondrial protein synthesis, and increased autophagy. In contrast, the ND6 14484T > C mutation predominantly impairs complex I function, resulting in heightened apoptosis and virtually no induction of mitochondrial autophagy compared to control cell lines. The presence of dual mutations in the same cell lines exhibited a coexistence of both upregulated cellular stress responses to mitochondrial damage, indicating a scenario of autophagy and mutation dysregulation within these dual‐mutant cell lines. The data proposes a novel hypothesis that mitochondrial tRNA gene mutations generally lead to increased mitochondrial autophagy, while mutations in genes encoding mitochondrial proteins typically induce apoptosis, shedding light on the intricate interplay between different genetic factors in the manifestation of LHON.
Engineered Macrophage Membrane‐Coated S100A9‐siRNA for Ameliorating Myocardial Ischemia‐Reperfusion Injury
Authors: Lu He , Wang Junzhuo , Chen Ziwei , Wang Jing , Jiang Yaohui , Xia Zequn , Hou Ya , Shang Pingping , Li Rutian , Liu Yuyong , Xie Jun
Published: September 2024

Despite the widespread adoption of emergency coronary reperfusion therapy, reperfusion‐induced myocardial injury remains a challenging issue in clinical practice. Following myocardial reperfusion, S100A8/A9 molecules are considered pivotal in initiating and regulating tissue inflammatory damage. Effectively reducing the S100A8/A9 level in ischemic myocardial tissue holds significant therapeutic value in salvaging damaged myocardium. In this study, HA (hemagglutinin)‐ and RAGE (receptor for advanced glycation end products)‐ comodified macrophage membrane‐coated siRNA nanoparticles (MMM/RNA NPs) with siRNA targeting S100A9 (S100A9‐siRNA) are successfully prepared. This nanocarrier system is able to target effectively the injured myocardium in an inflammatory environment while evading digestive damage by lysosomes. In vivo, migration of MMM/RNA NPs to myocardial injury lesions is confirmed in a myocardial ischemia‐reperfusion injury (MIRI) mouse model. Intravenous injection of MMM/RNA NPs significantly reduced S100A9 levels in serum and myocardial tissues, further decreasing myocardial infarction area and improving cardiac function. Targeted reduction of S100A8/A9 by genetically modified macrophage membrane‐coated nanoparticles may represent a new therapeutic intervention for MIRI.
ImputeHiFI: An Imputation Method for Multiplexed DNA FISH Data by Utilizing Single‐Cell Hi‐C and RNA FISH Data
Authors: Fan Shichen , Dang Dachang , Gao Lin , Zhang Shihua
Published: September 2024

Although multiplexed DNA fluorescence in situ hybridization (FISH) enables tracking the spatial localization of thousands of genomic loci using probes within individual cells, the high rates of undetected probes impede the depiction of 3D chromosome structures. Current data imputation methods neither utilize single‐cell Hi‐C data, which elucidate 3D genome architectures using sequencing nor leverage multimodal RNA FISH data that reflect cell‐type information, limiting the effectiveness of these methods in complex tissues such as the mouse brain. To this end, a novel multiplexed DNA FISH imputation method named ImputeHiFI is proposed, which fully utilizes the complementary structural information from single‐cell Hi‐C data and the cell type signature from RNA FISH data to obtain a high‐fidelity and complete spatial location of chromatin loci. ImputeHiFI enhances cell clustering, compartment identification, and cell subtype detection at the single‐cell level in the mouse brain. ImputeHiFI improves the recognition of cell‐type‐specific loops in three high‐resolution datasets. In short, ImputeHiFI is a powerful tool capable of imputing multiplexed DNA FISH data from various resolutions and imaging protocols, facilitating studies of 3D genome structures and functions.
Including non‐growing season emissions of N2O in US maize could raise net CO2e emissions by 31% annually
Authors: Buma Brian
Published: September 2024

Nitrous oxide (N2O) is a significant greenhouse gas and the most important currently emitted ozone depleting substance, primarily via agricultural fertilization. Current N2O emission estimation methods at the national scale are predominantly via emission factors. Models estimating national‐scale emissions are focused on growing season emissions. However, a substantial fraction of N2O can be emitted during non‐growing season periods. Using newly published off‐season N2O emission ratio maps and high‐resolution nitrogen application data, this study explores the potential magnitude of underestimated N2O emissions if using only the default growing‐season focused methodology. Although there is large variation at county scales (12%–35%), non‐growing season national emissions are estimated at 31% of the total, a potential 12,000 Gg CO2e year−1. Further work should better refine emission estimates spatially as well as fully integrate estimates across growing and non‐growing seasons.
Band Versus Hopping Transport in Conducting Polymers by Ab Initio Molecular Dynamics: Exploring the Effect of Electric Field, Trapping and Temperature
Authors: Zahabi Najmeh , Zozoulenko Igor
Published: September 2024

Understanding charge carrier transport in conductive polymers is imperative for the materials' synthesis and optimizing devices. While most theoretical studies utilize time‐independent approaches for describing charge transport, there is an interest in addressing temporal charge carrier dynamics, which provides more information than time‐independent methods. In this study, ab initio molecular dynamics is utilized to gain microscopic insights into charge carrier temporal dynamics in PEDOT. It is demonstrated that transport along the chains is band‐like and across the chains is hopping‐like. Polaron mobility is calculated along the chains to be 4 cm2 V−1 s−1, providing a theoretical upper limit in thiophene‐based conducting polymers. Also, by tracing polaron jumps between chains, the hopping rate, aligning with Marcus' theory is extracted. If an electric field can release polarons from Coulomb traps is investigated, finding that the necessary field strength surpasses typical experimental values. Two regimes of intrachain polaron movement are found: under low/intermediate electric fields, polaron moves velocity‐constantly with coupled charge and lattice distortion, while under high electric fields, charge and lattice distortion decouple. The methodology applies to studying mobilities in p‐ and n‐doped conjugated polymers, including highly doped systems with more polymer chains, and incorporates dielectric screening to address the impact of shallow and deep traps.
Optimizing crop geometry for enhanced growth and yield of soybean [Glycine max L. (Merrill)] maturity groups in western Ethiopia
Authors: Dabessa Alemayehu , Takele Feyera , Debala Chala , Abebe Zerihun
Published: September 2024

Increasing soybean [Glycine max L. (Merrill)] productivity relies heavily on optimizing crop geometry, encompassing both inter‐ and intra‐row spacing. This crucial agronomic practice directly impacts the productivity of soybean crops, making it vital for farmers to consider soybean maturity group when determining optimal crop geometry. Hence, the study was conducted to determine the effect of inter‐ and intra‐row spacing on yield and yield components of soybean varieties and to determine appropriate plant spacing for each maturity group of soybean varieties to achieve a high yield of soybean in the study area. Two soybean varieties from each maturity group, four inter‐row spacing (30, 40, 50, and 60 cm), and two intra‐row spacing (5 and 10 cm) were arranged in factorial combinations in randomized complete block design with three replications. The results showed that days to flowering, days to maturity, plant height, number of seeds/pod, number of pods/plant, and 100‐seed weight were significantly influenced by the main effect of varieties, inter‐ and intra‐row spacing for each maturity group of soybean varieties. The highest grain yield was recorded from narrow inter‐row spacing for early and medium maturity groups regardless of intra‐row spacing while the highest grain yield was obtained from 50‐cm inter‐row spacing for late maturing groups. Thus, it can be concluded that 40‐cm inter‐row spacing is recommended for early and medium soybean varieties, while 50‐cm inter‐row spacing is recommended for late‐maturing soybean varieties for western parts of Oromia and similar agroecologies.
Microwave‐Assisted One‐Pot Synthesis of Tetrahydro‐β‐Carbolines by Fe(II)‐Catalyst: Utilizing Methanol as Methylene Synthon
Authors: Khan Mursalim A. , Reddyrajula Rajkumar , Sakla Akash P. , Sathish Manda , Shankaraiah Nagula
Published: September 2024

The synthesis of tetrahydro‐β‐carbolines (THβCs) framework is a fundamental aspect of medicinal chemistry due to their significant pharmacological applications. Herein, we developed a microwave‐assisted novel approach for the synthesis of THβC scaffolds utilizing ferrous(II) chloride as an earth abundant metal catalyst and methanol used as valuable methylene source. This methodology demonstrates excellent functional group tolerance and provides N2‐substituted THβCs in good to excellent yields. Overall, this study highlights a sustainable and practical strategy for the synthesis of biologically important THβCs, thereby offering promising prospects in the drug discovery and development.
Combining cerebrospinal fluid and PI‐2620 tau‐PET for biomarker‐based stratification of Alzheimer's disease and 4R‐tauopathies
Authors: Dilcher Roxane , Wall Stephan , Groß Mattes , Katzdobler Sabrina , Wagemann Olivia , Palleis Carla , Weidinger Endy , Fietzek Urban , Bernhardt Alexander , Kurz Carolin , Ferschmann Christian , Scheifele Maximilian , Zaganjori Mirlind , Gnörich Johannes , Bürger Katharina , Janowitz Daniel , Rauchmann Boris‐Stephan , Stöcklein Sophia , Bartenstein Peter , Villemagne Victor , Seibyl John , Sabri Osama , Barthel Henryk , Perneczky Robert , Schöberl Florian , Zwergal Andreas , Höglinger Günter U. , Levin Johannes , Franzmeier Nicolai , Brendel Matthias
Published: September 2024

INTRODUCTION

Recent advances in biomarker research have improved the diagnosis and monitoring of Alzheimer's disease (AD), but in vivo biomarker‐based workflows to assess 4R‐tauopathy (4RT) patients are currently missing. We suggest a novel biomarker‐based algorithm to characterize AD and 4RTs.

METHODS

We cross‐sectionally assessed combinations of cerebrospinal fluid measures (CSF p‐tau181 and t‐tau) and 18F‐PI‐2620 tau‐positron emission tomography (PET) in patients with AD (n = 64), clinically suspected 4RTs (progressive supranuclear palsy or corticobasal syndrome, n = 82) and healthy controls (n = 19).

RESULTS

Elevated CSF p‐tau181 and cortical 18F‐PI‐2620 binding was characteristic for AD while normal CSF p‐tau181 with elevated subcortical 18F‐PI‐2620 binding was characteristic for 4RTs. 18F‐PI‐2620‐assessed posterior cortical hypoperfusion could be used as an additional neuronal injury biomarker in AD.

DISCUSSION

The specific combination of CSF markers and 18F‐PI‐2620 tau‐PET in disease‐specific regions facilitates the biomarker‐guided stratification of AD and 4RTs. This has implications for biomarker‐aided diagnostic workflows and the advancement in clinical trials.

Highlights

Novel biomarker‐based algorithm for differentiating AD and 4R‐tauopathies.

A combination of CSF p‐tau181 and 18F‐PI‐2620 discriminates AD versus 4R tauopathies.

Hypoperfusion serves as an additional neuronal injury biomarker in AD.
Clinical, Radiological and Pathological Features of a Large American Cohort of Spinocerebellar Ataxia (SCA27B)
Authors: Abou Chaar Widad , Eranki Anirudh N. , Stevens Hannah A. , Watson Sonya L. , Wong Darice Y. , Avila Veronica S. , Delfeld Megan , Gary Alexander J. , Tawde Sanjukta , Triebold Malia , Cherchi Marcello , Xie Tao , Lockhart Paul J. , Bahlo Melanie , Pellerin David , Dicaire Marie‐Josée , Danzi Matt , Zuchner Stephan , Brais Bernard C. , Perlman Susan , Burmeister Margit , Paulson Henry , Srinivasan Sharan , Schut Lawrence , Bower Matthew , Bushara Khalaf , Liao Chuanhong , Shakkottai Vikram G. , Collins John , Clark H. Brent , Das Soma , Fogel Brent L. , Gomez Christopher M.
Published: September 2024

Objectives

Spinocerebellar ataxia 27B due to GAA repeat expansions in the fibroblast growth factor 14 (FGF14) gene has recently been recognized as a common cause of late‐onset hereditary cerebellar ataxia. Here we present the first report of this disease in the US population, characterizing its clinical manifestations, disease progression, pathological abnormalities, and response to 4‐aminopyridine in a cohort of 102 patients bearing GAA repeat expansions.

Methods

We compiled a series of patients with SCA27B, recruited from 5 academic centers across the United States. Clinical manifestations and patient demographics were collected retrospectively from clinical records in an unblinded approach using a standardized form. Post‐mortem analysis was done on 4 brains of patients with genetically confirmed SCA27B.

Results

In our cohort of 102 patients with SCA27B, we found that SCA27B was a late‐onset (57 ± 12.5 years) slowly progressive ataxia with an episodic component in 51% of patients. Balance and gait impairment were almost always present at disease onset. The principal finding on post‐mortem examination of 4 brain specimens was loss of Purkinje neurons that was most severe in the vermis most particularly in the anterior vermis. Similar to European populations, a high percent of patients 21/28 (75%) reported a positive treatment response with 4‐aminopyridine.

Interpretation

Our study further estimates prevalence and further expands the clinical, imaging and pathological features of SCA27B, while looking at treatment response, disease progression, and survival in patients with this disease. Testing for SCA27B should be considered in all undiagnosed ataxia patients, especially those with episodic onset. ANN NEUROL 2024;96:1092–1103
Peptide‐Induced Division of Polymersomes for Biomimetic Compartmentalization
Authors: Bremm Madalosso Heloísa , Cao Shoupeng , Ivanov Tsvetomir , de Souza Melchiors Marina , Koynov Kaloian , Guindani Camila , Hermes de Araújo Pedro Henrique , Sayer Claudia , Landfester Katharina , Caire da Silva Lucas
Published: September 2024

Polymersomes are synthetic vesicles that mimic the architecture of cellular compartments such as the cell membrane and organelles. These biomimetic compartments facilitate the creation of cell‐like chemical systems, including microreactors and synthetic organelles. However, the construction of hierarchical multi‐compartment systems remains challenging and typically requires the encapsulation of pre‐formed vesicles within a host compartment. Here, we report the formation of multicompartment polymersomes with a vesicle‐in‐vesicle architecture achieved through self‐division induced by short peptides incorporated into the vesicle membrane. A phenylalanine‐phenylalanine‐methionine (FFM) tripeptide was designed and encapsulated into the polymersome via microfluidics. We demonstrate that vesicle self‐division occurs due to peptide incorporation into the membrane in response to pH changes. This self‐division creates internal vesicles capable of colocalizing enzymes. The hybrid polymer‐peptide system described here provides a straightforward method for developing subcompartmentalized systems, paving the way for engineering microreactors with life‐like properties.
Reversible Structural Phase Transitions in Zero‐Dimensional Cu(I)‐Based Metal Halides for Dynamically Tunable Emissions
Authors: An Ran , Wang Qishun , Liang Yuan , Du Pengye , Lei Pengpeng , Sun Haizhu , Wang Xinyu , Feng Jing , Song Shuyan , Zhang Hongjie
Published: September 2024

Exploring structural phase transitions and luminescence mechanisms in zero‐dimensional (0D) metal halides poses significant challenges, that are crucial for unlocking the full potential of tunable optical properties and diversifying their functional capabilities. Herein, we have designed two inter‐transformable 0D Cu(I)‐based metal halides, namely (C19H18P)2CuI3 and (C19H18P)2Cu4I6, through distinct synthesis conditions utilizing identical reactants. Their optical properties and luminescence mechanisms were systematically elucidated by experiments combined with density functional theory calculations. The bright cyan‐fluorescent (C19H18P)2CuI3 with high photoluminescence quantum yield (PLQY) of 77 % is attributed to the self‐trapped exciton emission. Differently, the broad yellow‐orange fluorescence of (C19H18P)2Cu4I6 displays a remarkable PLQY of 83 %. Its luminescence mechanism is mainly attributed to the combined effects of metal/halide‐to‐ligand charge transfer and cluster‐centered charge transfer, which effects stem from the strong Cu−Cu bonding interactions in the (Cu4I6)2− clusters. Moreover, (C19H18P)2CuI3 and (C19H18P)2Cu4I6 exhibit reversible structural phase transitions. The elucidation of the phase transitions mechanism has paved the way for an unforgeable anti‐counterfeiting system. This system dynamically shifts between cyan and yellow‐orange fluorescence, triggered by the phase transitions, bolstering security and authenticity. This work enriches the luminescence theory of 0D metal halides, offering novel strategies for optical property modulation and fostering optical applications.
Strain‐Release‐Driven Electrochemical Skeletal Rearrangement of Non‐Biased Alkyl Cyclopropanes/Butanes
Authors: Qi Jing , Wang Chu , Wang Gan , O'Neill Patrick , Reddy Dubbaka Srinivas , Ting Ang Hwee , Chen Xuebo , Wu Jie
Published: September 2024

Capitalizing the inherent strain energy within molecules, strain‐release‐driven reactions have been widely employed in organic synthesis. Small cycloalkanes like cyclopropanes and cyclobutanes, with their moderate ring strain, typically require dense functionalization to induce bias or distal activation of (hetero) aromatic rings via single‐electron oxidation for relieving the tension. In this study, we present a pioneering direct activation of alkyl cyclopropanes/butanes through electrochemical oxidation. This approach not only showcases the potential for ring‐opening of cyclopropane/butane under electrochemical conditions but also streamlines the synthesis of diverse oxazolines and oxazines. The applicability of our method is exemplified by its broad substrate scopes. Notably, the products derived from cyclobutanes undergo a formal ring contraction to cyclopropanes, introducing an intriguing aspect to our discoveries. These discoveries mark a significant advancement in strain‐release‐driven skeletal rearrangement reactions of moderately strained rings, offering sustainable and efficient synthetic pathways for future endeavours.
Complexity‐Building Exhaustive Dearomatization of Benzenoid Aromatics within an ESIPT‐Initiated Three‐Step Photochemical Cascade.
Authors: Beduru Srinivas , Huple Deepak B. , Kutateladze Andrei G.
Published: September 2024

Dearomative cycloadditions offer rapid access to complex 3D molecular architectures, commonly via a sp2‐to‐sp3 rehybridization of two atoms of an aromatic ring. Here we report that the 6e π‐system of a benzenoid aromatic pendant could be exhaustively depleted within a single photochemical cascade. An implementation of this approach involves the initial dearomative [4+2] cycloaddition of the Excited State Intramolecular Proton Transfer (ESIPT)‐generated azaxylylene, followed by two consecutive [2+2] cycloadditions of auxiliary π moieties strategically positioned in the photoprecursor. Such photochemical cascade fully dearomatizes the benzenoid aromatic ring, saturating all six sp2 atoms to yield a complex sp3‐rich scaffold with high control of its 3D molecular shape, rendering it a robust platform for rapid systematic mapping of underexplored chemical space. Significant growth of molecular complexity—starting with a modular synthesis of photoprecursors from readily available building blocks—is quantified by Böttcher score calculations.
Diffusion and sorption of water vapor by polyamide‐imides
Authors: Chalykh Anatoly E. , Petrova Tatiana F. , Matveev Vladimir V. , Nikulova Uliana V.
Published: September 2024

The study of sorption and diffusion characteristics of glassy polymers based on polyamide‐imides was carried out using the methods of static sorption, dilatometry, electron microscopy. Water sorption isotherms of polyamide‐imides based on trimellitimido‐N‐acetic acid (PAI‐A) and trimellitimido‐N‐p‐benzoic acid (PAI‐B) with different intramolecular ‘hinges’ in the diamine fragment were obtained. The isotherms are S‐shaped and occupy an intermediate position between polyheteroarylenes and aliphatic polyamides. The dual sorption model was used to interpret the results. It is shown that the Langmuir component of the isotherms is determined by the thermal prehistory of glassy polymers, while the sorption component associated with water dissolution according to Flory‐Huggins is determined by the chemical nature of the functional groups included in the monomeric unit. The diffusion coefficients of water and the temperature and concentration dependences of the diffusion coefficients of sorbed water molecules were determined.
Community‐Engaged Research and the Use of Open Access ToxVal/ToxRef In Vivo Databases and New Approach Methodologies (NAM) to Address Human Health Risks From Environmental Contaminants
Authors: Silva Marilyn , Capps Shosha , London Jonathan K.
Published: September 2024

Background

The paper analyzes opportunities for integrating Open access resources (Abstract Sifter, US EPA and NTP Toxicity Value and Toxicity Reference [ToxVal/ToxRefDB]) and New Approach Methodologies (NAM) integration into Community Engaged Research (CEnR).

Methods

CompTox Chemicals Dashboard and Integrated Chemical Environment with in vivo ToxVal/ToxRef and NAMs (in vitro) databases are presented in three case studies to show how these resources could be used in Pilot Projects involving Community Engaged Research (CEnR) from the University of California, Davis, Environmental Health Sciences Center.

Results

Case #1 developed a novel assay methodology for testing pesticide toxicity. Case #2 involved detection of water contaminants from wildfire ash and Case #3 involved contaminants on Tribal Lands. Abstract Sifter/ToxVal/ToxRefDB regulatory data and NAMs could be used to screen/prioritize risks from exposure to metals, PAHs and PFAS from wildfire ash leached into water and to investigate activities of environmental toxins (e.g., pesticides) on Tribal lands. Open access NAMs and computational tools can apply to detection of sensitive biological activities in potential or known adverse outcome pathways to predict points of departure (POD) for comparison with regulatory values for hazard identification. Open access Systematic Empirical Evaluation of Models or biomonitoring exposures are available for human subpopulations and can be used to determine bioactivity (POD) to exposure ratio to facilitate mitigation.

Conclusions

These resources help prioritize chemical toxicity and facilitate regulatory decisions and health protective policies that can aid stakeholders in deciding on needed research. Insights into exposure risks can aid environmental justice and health equity advocates.