bluuebunny/crossref_metadata_2025 huggingface dataset:
Single-molecule digital sizing of proteins in solution
Authors: Krainer Georg , Jacquat Raphael P. B. , Schneider Matthias M. , Welsh Timothy J. , Fan Jieyuan , Peter Quentin A. E. , Andrzejewska Ewa A. , Šneiderienė Greta , Czekalska Magdalena A. , Ausserwoeger Hannes , Chai Lin , Arter William E. , Saar Kadi L. , Herling Therese W. , Franzmann Titus M. , Kosmoliaptsis Vasilis , Alberti Simon , Hartl F. Ulrich , Lee Steven F. , Knowles Tuomas P. J.
Published: September 2024

The physical characterization of proteins in terms of their sizes, interactions, and assembly states is key to understanding their biological function and dysfunction. However, this has remained a difficult task because proteins are often highly polydisperse and present as multicomponent mixtures. Here, we address this challenge by introducing single-molecule microfluidic diffusional sizing (smMDS). This approach measures the hydrodynamic radius of single proteins and protein assemblies in microchannels using single-molecule fluorescence detection. smMDS allows for ultrasensitive sizing of proteins down to femtomolar concentrations and enables affinity profiling of protein interactions at the single-molecule level. We show that smMDS is effective in resolving the assembly states of protein oligomers and in characterizing the size of protein species within complex mixtures, including fibrillar protein aggregates and nanoscale condensate clusters. Overall, smMDS is a highly sensitive method for the analysis of proteins in solution, with wide-ranging applications in drug discovery, diagnostics, and nanobiotechnology.
Controlling light emission from semiconductor nanoplatelets using surface chemistry
Authors: Swift Michael W. , Efros Alexander L. , Erwin Steven C.
Published: September 2024

Semiconductor nanoplatelets are atomically flat nanocrystals which emit light with high spectral purity at wavelengths controlled by their thickness. Despite their technological potential, efforts to further sharpen the emission lines of nanoplatelets have generally failed for unknown reasons. Here, we demonstrate theoretically that the linewidth is controlled by surface chemistry—specifically, inhomogeneities in the ligand layer on the nanoplatelet surface lead to a spatially fluctuating potential that localizes excitons. This localization leads to increased scattering and optical broadening. Importantly, localization also reduces the rate of radiative emission. Our model explains the observed linewidth and predicts that a more uniform ligand layer will sharpen the lines and increase the emission rates. These findings demonstrate that light emission from nanoplatelets can be controlled by optimizing their surface chemistry, an important advantage for their eventual use in optical technologies.
Mucosal adenovirus vaccine boosting elicits IgA and durably prevents XBB.1.16 infection in nonhuman primates
Authors: Gagne Matthew , Flynn Barbara J. , Andrew Shayne F. , Marquez Josue , Flebbe Dillon R. , Mychalowych Anna , Lamb Evan , Davis-Gardner Meredith E. , Burnett Matthew R. , Serebryannyy Leonid A. , Lin Bob C. , Ziff Zohar E. , Maule Erin , Carroll Robin , Naisan Mursal , Jethmalani Yogita , Pessaint Laurent , Todd John-Paul M. , Doria-Rose Nicole A. , Case James Brett , Dmitriev Igor P. , Kashentseva Elena A. , Ying Baoling , Dodson Alan , Kouneski Katelyn , O’Dell Sijy , Wali Bushra , Ellis Madison , Godbole Sucheta , Laboune Farida , Henry Amy R. , Teng I-Ting , Wang Danyi , Wang Lingshu , Zhou Qiong , Zouantchangadou Serge , Van Ry Alex , Lewis Mark G. , Andersen Hanne , Kwong Peter D. , Curiel David T. , Roederer Mario , Nason Martha C. , Foulds Kathryn E. , Suthar Mehul S. , Diamond Michael S. , Douek Daniel C. , Seder Robert A.
Published: September 2024

A mucosal route of vaccination could prevent severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) replication at the site of infection and limit transmission. We compared protection against heterologous XBB.1.16 challenge in nonhuman primates (NHPs) ~5 months following intramuscular boosting with bivalent mRNA encoding WA1 and BA.5 spike proteins or mucosal boosting with a WA1–BA.5 bivalent chimpanzee adenoviral-vectored vaccine delivered by intranasal or aerosol device. NHPs boosted by either mucosal route had minimal virus replication in the nose and lungs, respectively. By contrast, protection by intramuscular mRNA was limited to the lower airways. The mucosally delivered vaccine elicited durable airway IgG and IgA responses and, unlike the intramuscular mRNA vaccine, induced spike-specific B cells in the lungs. IgG, IgA and T cell responses correlated with protection in the lungs, whereas mucosal IgA alone correlated with upper airway protection. This study highlights differential mucosal and serum correlates of protection and how mucosal vaccines can durably prevent infection against SARS-CoV-2.
A time-stratified, case–crossover study of heat exposure and perinatal mortality from 16 hospitals in sub-Saharan Africa
Authors: Hanson Claudia , de Bont Jeroen , Annerstedt Kristi Sidney , Alsina Maria del Rosario , Nobile Federica , Roos Nathalie , Waiswa Peter , Pembe Andrea , Dossou Jean-Paul , Chipeta Effie , Benova Lenka , Kidanto Hussein , Part Cherie , Stafoggia Massimo , Filippi Veronique , Ljungman Petter
Published: September 2024

Growing evidence suggests that extreme heat events affect both pregnant women and their infants, but few studies are available from sub-Saharan Africa. Using data from 138,015 singleton births in 16 hospitals in Benin, Malawi, Tanzania and Uganda, we investigated the association between extreme heat and early perinatal deaths, including antepartum and intrapartum stillbirths, and deaths within 24 h after birth using a time-stratified case–crossover design. We observed an association between an increase from the 75th to the 99th percentile in mean temperature 1 week (lag 0–6 d) before childbirth and perinatal mortality (odds ratio (OR) = 1.34 (95% confidence interval (CI) 1.01–1.78)). The estimates for stillbirths were similarly positive, but CIs included unity: OR = 1.29 (95% CI 0.95–1.77) for all stillbirths, OR = 1.18 (95% CI 0.71–1.95) for antepartum stillbirths and OR = 1.64 (95% CI 0.74–3.63) for intrapartum stillbirths. The cumulative exposure–response curve suggested that the steepest slopes for heat for intrapartum stillbirths and associations were stronger during the hottest seasons. We conclude that short-term heat exposure may increase mortality risks, particularly for intrapartum stillbirths, raising the importance of improved intrapartum care.
A global flash drought inventory based on soil moisture volatility
Authors: Osman Mahmoud , Zaitchik Benjamin , Otkin Jason , Anderson Martha
Published: September 2024

Flash droughts, characterized by rapid onset and development, present significant challenges to agriculture and climate mitigation strategies. Operational drought monitoring systems, based on precipitation, soil moisture deficits, or temperature anomalies, often fall short in timely detection of these events, underscoring the need for customized identification and monitoring indices that account for the rapidity of flash drought onset. Recognizing this need, this paper introduces a global flash drought inventory from 1990 to 2021 derived using the Soil Moisture Volatility Index (SMVI). Our work expands the application of the SMVI methodology, previously focused on the United States, to a global scale, providing a tool for understanding and predicting these rapidly developing phenomena. The dataset encompasses detailed event characteristics, including onset, duration, and severity, across diverse climate zones. By integrating atmospheric variables through their impact on soil moisture, the inventory offers a platform for analyzing the drivers and impacts of flash droughts, and serves as a large, consistent dataset for use in training and evaluating flash drought prediction models.
Evaluation of the cytotoxicity and antibacterial activity of nano-selenium prepared via gamma irradiation against cancer cell lines and bacterial species
Authors: Salah M. , Elkabbany Nesreen A. S. , Partila Abir M.
Published: September 2024

A recent scientific investigation has shown promising results of selenium nanoparticles (SeNPs) for the anticancer and antimicrobial activities. This study aims to evaluate the effects of PVP SeNPs on bacterial strains, including Staphylococcus aureus (S. aureus), Bacillus cereus (B. cereus), Klebsiella pneumoniae (K. pneumoniae), Escherichia coli (E. coli), and Pseudomonas aeruginosa (P. aeruginosa). Also, its antitumor activity against the MRC-5 carcinoma cell line. SeNPs were prepared via gamma irradiation using PVP as a capping agent, and their size and morphological structure were determined using HRTEM. The size of the SeNPs ranged from 36 to 66.59 nm. UV–vis spectra confirmed the formation of SeNPs, while FTIR measurement confirmed a change in the PVP structure after adding selenium nanoparticles. The highest effect was reported on HepG2 by an IC50 with a value of 8.87 µg/ml, followed by HeLa, PC3, MCF-7, and Caco2 cell lines, respectively. Furthermore, ZOI reached 36.33 ± 3.05 mm. The best value of the minimum inhibitory concentration (MIC) was 0.313 µg/ml. Scanning electron microscope (SEM) imaging against bacteria showed deformations and distortions in their structures. Transmission electron (TEM) revealed ultrastructure changes in treated bacteria because of the free radicals that made cytotoxicity which confirmed by Electron spin resonance (ESR).
Detection and tracking of ocean layers using an AUV with UKF based extremum seeking control in the Baltic Sea
Authors: von See Tim Benedikt , Greinert Jens , Meurer Thomas
Published: September 2024

Adaptive sampling and situational awareness are key features of modern autonomous underwater vehicles (AUVs) since data quality can be improved while operation time and cost can be reduced. An example for adaptive sampling in the marine environmental context is thermocline detection and tracking. The thermocline as horizontal ocean layer separates warm and cold water and is a key feature in many marine disciplines. For example, it influences the distribution and exchange of nutrients and is a habitat for many organisms. In this paper we use an unscented Kalman Filter (UKF) based extremum seeking control (ESC) to find and follow ocean layers such as the thermocline. Computer simulations and real-world tests show that the method is able to find and track non-trivial real-world ocean layers with sensors subject to hysteresis and delay effects.
Numerical and experimental analysis of thermal behaviour of high voltage power cable in unfilled ducts
Authors: Quercio Michele , Del Pino Lopez Juan Carlos , Grasso Sergio , Canova Aldo
Published: September 2024

The work addresses the topic of the thermal study of high-voltage power cables installed inside plastic pipes in the absence of filling. The presence of air inside the pipe creates an insulating layer that does not favor heat exchange and makes the calculation of the flow rate more complex, as it is necessary to take into account the thermal phenomena of natural convection and radiation between the surface of the cable and the internal surface of the tube. The numerical model based on the finite element calculation was compared with the experimental results obtained on a simulacrum in which the temperatures on the different layers of the cable were measured. After this validation, some typical installation configurations of single and double energy transport triads were analyzed.
Mechanism of bacteriophage-induced vaterite formation
Authors: Borkowski Andrzej , Działak Paweł , Berent Katarzyna , Gajewska Marta , Syczewski Marcin D. , Słowakiewicz Mirosław
Published: September 2024

This study shows how bacterial viruses (bacteriophages, phages) interact with calcium carbonate during precipitation from aqueous solution. Using electron microscopy, epifluorescence microscopy, X-ray diffraction, and image analysis, we demonstrate that bacteriophages can strongly influence the formation of the vaterite phase. Importantly, bacteriophages may selectively bind both amorphous calcium carbonate (ACC) and vaterite, and indirectly affect the formation of structural defects in calcite crystallites. Consequently, the surface properties of calcium carbonate phases precipitating in the presence of viruses may exhibit different characteristics. These findings may have significant implications in determining the role of bacterial viruses in modern microbially-rich carbonate sedimentary environments, as well as in biomedical technologies. Finally, the phage-vaterite system, as a biocompatible material, may serve as a basis for the development of promising drug delivery carriers.
Visualizing plasmons and ultrafast kinetic instabilities in laser-driven solids using X-ray scattering
Authors: Ordyna Paweł , Bähtz Carsten , Brambrink Erik , Bussmann Michael , Laso Garcia Alejandro , Garten Marco , Gaus Lennart , Göde Sebastian , Grenzer Jörg , Gutt Christian , Höppner Hauke , Huang Lingen , Hübner Uwe , Humphries Oliver , Marré Brian Edward , Metzkes-Ng Josefine , Miethlinger Thomas , Nakatsutsumi Motoaki , Öztürk Özgül , Pan Xiayun , Paschke-Brühl Franziska , Pelka Alexander , Prencipe Irene , Preston Thomas R. , Randolph Lisa , Schlenvoigt Hans-Peter , Schwinkendorf Jan-Patrick , Šmíd Michal , Starke Sebastian , Štefaníková Radka , Thiessenhusen Erik , Toncian Toma , Zeil Karl , Schramm Ulrich , Cowan Thomas E. , Kluge Thomas
Published: September 2024

Ultra-intense lasers that ionize atoms and accelerate electrons in solids to near the speed of light can lead to kinetic instabilities that alter the laser absorption and subsequent electron transport, isochoric heating, and ion acceleration. These instabilities can be difficult to characterize, but X-ray scattering at keV photon energies allows for their visualization with femtosecond temporal resolution on the few nanometer mesoscale. Here, we perform such experiment on laser-driven flat silicon membranes that shows the development of structure with a dominant scale of 60 nm in the plane of the laser axis and laser polarization, and 95 nm in the vertical direction with a growth rate faster than 0.1 fs−1. Combining the XFEL experiments with simulations provides a complete picture of the structural evolution of ultra-fast laser-induced plasma density development, indicating the excitation of plasmons and a filamentation instability. Particle-in-cell simulations confirm that these signals are due to an oblique two-stream filamentation instability. These findings provide new insight into ultra-fast instability and heating processes in solids under extreme conditions at the nanometer level with possible implications for laser particle acceleration, inertial confinement fusion, and laboratory astrophysics.
Self-assembly of sustainable plant protein protofilaments into a hydrogel for ultra-low friction across length scales
Authors: Pabois Olivia , Dong Yihui , Kampf Nir , Lorenz Christian D. , Doutch James , Avila-Sierra Alejandro , Ramaioli Marco , Mu Mingduo , Message Yasmin , Liamas Evangelos , Tyler Arwen I. I. , Klein Jacob , Sarkar Anwesha
Published: September 2024

Designing plant protein-based aqueous lubricants can be of great potential to achieve sustainability objectives by capitalising on inherent functional groups without using synthetic chemicals; however, such a concept remains in its infancy. Here, we engineer a class of self-assembled sustainable materials by using plant-based protofilaments and their assembly within a biopolymeric hydrogel giving rise to a distinct patchy architecture. By leveraging physical interactions, this material offers superlubricity with friction coefficients of 0.004-to-0.00007 achieved under moderate-to-high (102-to-103 kPa) contact pressures. Multiscale experimental measurements combined with molecular dynamics simulations reveal an intriguing synergistic mechanism behind such ultra-low friction - where the uncoated areas of the protofilaments glue to the surface by hydrophobic interactions, whilst the hydrogel offers the hydration lubrication. The current approach establishes a robust platform towards unlocking an untapped potential of using plant protein-based building blocks across diverse applications where achieving superlubricity and environmental sustainability are key performance indicators.
Role and advancement of 3D printing in energy storage devices
Authors: Horinek Jeffery , Davis Allen , Gupta Ram K.
Published: September 2024

Since energy is such a vital component of everyday life it is now more apparent than ever that improvements in our current energy storage devices are a necessity as the current forms of energy storage are ill-equipped to deal with future demands. Because of these demands, researchers are beginning to focus on 3D printing and its potential to revolutionize energy storage. Now the primary focus for 3D printing is the fabrication of electrodes. This is due to the unique materials and designs that 3D has enabled. However, with the rise of wearable electronics, the role of 3D printing is slowly being expanded into the fabrication of electrolyte material. The spur towards electrolyte printing has also been led by the rise of Direct Ink Writing (DIW) printing technology which is regarded as the future of the 3D printing industry.
Multi-effective nanoplatform with down/upconversion dual-mode emissions for NIR-II imaging and PDT/PTT synergistic therapy of early atherosclerosis
Authors: Gao Wen , Lv Lijun , Li Guanghan , Zhao Hongxiu , Zhou Jia , Cheng Yuan , Tang Bo
Published: September 2024

We design a multi-effective nanoplatform with down/upconversion dual-mode emissions for NIR-II imaging and PDT/PTT synergistic therapy of early atherosclerosis.
A flexible rotator-expanded molecular framework integrated strategy for improving microviscosity sensitivity of molecular rotor probes
Authors: Tang Xiaofang , Zhu Yaping , Guan Weijiang , Lu Chao
Published: September 2024

We proposed a novel approach that integrates flexible rotators and expanded molecular frameworks to enhance the microviscosity sensitivity of molecular rotor probes in both concentrated and dilute solutions.
Degradation of benzylamines during chlorination and chloramination
Authors: Lin Chih-Hsien , Chen Wei-Hsiang , Mitch William A.
Published: September 2024

This study characterized the degradation pathways of benzylamine, N-methylbenzylamine and N,N-dimethylbenzylamine during chlorination and chloramination.
Enantioselective electrosynthesis of inherently chiral calix[4]arenes via a cobalt-catalyzed aryl C–H acyloxylation
Authors: Zhang Liming , Yang Chen , Wang Xinhai , Yang Taixin , Yang Dandan , Dou Yingchao , Niu Jun-Long
Published: September 2024

An enantioselective electrosynthesis of inherent chiral calix[4]arenes via a cobalt enabled asymmetric C–H acyloxylation is revealed, which exhibits a broad substrate scope, excellent functional group tolerance, and high enantioselectivity.
Environmentally friendly Miyaura Borylations allowing for green, 1-pot borylation/Suzuki–Miyaura couplings
Authors: Nelson Chandler B. , L'Heureux Scott J. , Wong Madison J. , Kuhn Simone L. , Ghiglietti Erika , Lipshutz Bruce H.
Published: September 2024

A new method for installing the B(Epin) boronic ester leads to stable, functionalized borylated aromatic products under near-neat conditions, thereby allowing for sustainable Suzuki-Miyaura couplings.
Optimizing SEM-EDX for fast, high-quality and non-destructive elemental analysis of glass
Authors: Guyett Paul C. , Chew David , Azevedo Vitor , Blennerhassett Lucy C. , Rosca Carolina , Tomlinson Emma
Published: September 2024

SEM-EDX is a powerful, non-destructive tool that can obtain high-resolution, fast, precise and accurate major and minor element chemical information from polished material.
Synthesis of a new photosensitizer for laser-mediated photodynamic therapy to kill cancer cells in gliomas
Authors: Liang Guangshu , Yang Yining , Cheng Daofu , Ma Yuyan , Yan Linping
Published: September 2024

Managing glioma, a particularly aggressive form of brain cancer, poses significant challenges because of its inherent resistance and the intricate nature of the central nervous system.
Growth mechanism of 2D heterostructures of polypyrrole grown on TiO2 nanoribbons for high-performance supercapacitors
Authors: Enaiet Allah Abeer , Mohamed Fatma
Published: September 2024

The patterning of functional structures is crucial in the field of materials science. Despite the enticing nature of two-dimensional surfaces, the task of directly modeling them with regular structures remains a significant challenge.
Synthesis, crystal structure, thermal analysis, spectroscopic, optical polarizability, and DFT studies, and molecular docking approaches of novel 2-methyl-benzylammonium derivatives for potential anti-inflammatory control
Authors: Ferchichi Amal , Makhlouf Jawher , Chukwuemeka Kelechi , Valkonen Arto , Abuelizz Hatem A. , Al-Salahi Rashad , El Bakri Youness , Smirani Wajda
Published: September 2024

The paper describes the synthesis, crystal structure and spectroscopic analyses of two novel complexes.
Dual responsive curcumin loaded N-isopropylacrylamide/acrylated linseed oil copolymeric hydrogel films: tuned LCST with value-added properties
Authors: Parvathy P. A. , Ajisafe Victor A. , Raichur Ashok M. , Sahoo Sushanta K.
Published: September 2024

Biocompatible curcumin incorporated AELO-co-PNIPAm copolymeric hydrogels developed with fine tuned LCST, antioxidant and pH responsive features.
Evaluation of drug release from polymeric nanoparticles in simulated saliva and gastric media by asymmetric flow field–flow fractionation (AF4)
Authors: Wu Haoran , Homawoo Alaia , Shariati Saba , Astete Carlos E. , Rodrigues Debora F. , Sabliov Cristina M. , Fini Elham H. , Louie Stacey M.
Published: September 2024

Enrofloxacin release from PLGA nanocarriers was evaluated in simulated saliva and gastric fluid. AF4 and DFT analyses revealed that acidic solvent intrusion above Tg induced faster diffusive release, whereas media proteins had no significant effect.
Building continuous Li-ion transport channels from cathode to anode in solid-state lithium-metal batteries
Authors: Liu Xianxi , Hou Hongying , Wang Yixuan , Ming Sen , Niu Yutao , Yu Xiaohua , Rong Ju , Xiong Shizhao
Published: September 2024

Homogeneous Li+ transport channels through the electric core were built by surface modifications of both the solid-state electrolyte membrane and the binder phase in the cathode, thus improving the performance of solid-state lithium batteries.
Cu(i)-catalyzed dearomatizing cascade of thiazoles using two molecules of an α-aryl-α-diazoester: a novel approach for the synthesis of densely substituted 4-thiazolines
Authors: Ran Ying , Ye Xingrong , Liu Mingli , Xu Xichen
Published: September 2024

A novel copper(i)-catalyzed cascade reaction has been devised for the functionalization of thiazoles, which employs two molar equivalents of an α-aryl-α-diazoester.
Total synthesis of deinococcucins A–D and their isomeric derivatives via stereo- and regio-selective glycosylation: the discovery of a novel anti-angiogenic agent
Authors: Lee Honghui , Seong Shihwa , Bae Eun Seo , Choi Seung Hyun , Lee Jinwoo , Lee Seok Beom , Oh Dong-Chan , Lee Sang Kook , Hong Suckchang
Published: September 2024

First total syntheses of deinococcucins A–D and their four new derivatives were achieved using stereo- and regio-selective glycosylations as key reaction steps.
Confinement induced change of microemulsion phase structure in controlled pore glass (CPG) monoliths
Authors: Dahl Margarethe , Gommes Cedric J. , Haverkamp René , Wood Kathleen , Prévost Sylvain , Schröer Pierre , Omasta Tomáš , Stank Tim Julian , Hellweg Thomas , Wellert Stefan
Published: September 2024

We use small-angle neutron scattering (SANS) to investigate the structure and phase behavior of a complex fluid within meso- and macroporous matrices.
DFT and comparative adsorption study of NiO, MnO, and Mn2NiO4 nanomaterials for the removal of amaranth dye from synthetic water
Authors: Ahmad Madiha , Riaz Qamar , Tabassum Mehwish , Shafqat Syed Salman , Ayesha Aima tul , Zubair Muhammad , Xiong Youpeng , Syed Asad , AL-Shwaiman Hind A. , Nadeem Muhammad Arif , Jia Xin , Xu Guobao , Zafar Muhammad Nadeem
Published: September 2024

NiO nanoparticles, MnO nanoparticles, and Mn2NiO4 nanocomposites were synthesized using a facile hydrothermal method, and their performance in the removal of amaranth dye from synthetic wastewater was compared.
High photocatalytic efficiency of a ZnO nanoplate/Fe2O3 nanospindle hybrid using visible light for methylene blue degradation
Authors: Dien Nguyen Dac , Pham Thi Thu Ha , Vu Xuan Hoa , Xuan Vuong Truong , Nguyen Thi Thu Thuy , Trang Tran Thu , Van Hao Nguyen , Nga Pham Thi , Kim Chi Tran Thi , Giang Tran Thi Huong , Toan Nguyen Duc
Published: September 2024

In this work, ZnO nanoplates and Fe2O3 nanospindles were successfully fabricated via a simple hydrothermal method using inorganic salts as precursors.
Thermophysical properties of polyethylene glycol oligomers via molecular dynamics simulations
Authors: Ho Thi H. , Hien Tong Duy , Wilhelmsen Øivind , Trinh Thuat T.
Published: September 2024

The thermophysical properties of the polyethylene glycol oligomer obtained by the AMBER force field are in excellent agreement with experimental data.
Transparent, mechanically robust, conductive, self-healable, and recyclable ionogels for flexible strain sensors and electroluminescent devices
Authors: Huang Zhenkai , Xu Liguo , Liu Peijiang , Peng Jianping
Published: September 2024

A self-healable recyclable ionogel enabled by reversible dynamic interactions and polymer chain entanglement for flexible strain sensor and electroluminescent devices.
Enhanced remediation of U(vi) ions from water resources using advanced forms of morphologically modified glauconite (nano-sheets and nano-rods): experimental and theoretical investigations
Authors: Abukhadra Mostafa R. , Allah Aya Fadl , Shaban Mohamed , Alenazi Noof A. , Alqhtani Haifa A. , Bin-Jumah May , Allam Ahmed A.
Published: September 2024

Two forms of morphologically transformed glauconite (GL) involved exfoliated nanosheets (EXG) and nanorods (GRs), which were synthesized by facile exfoliating and scrolling modification under sonication.
A heterogeneous CuV2O6@2D-V2CTx MXene nanohybrid as a cathode material for high-capacity and stable aqueous Zn-ion batteries
Authors: S Lena , Ramasamy Senthilkumar , Rajendra Saradh Prasad , AlSalhi Mohamad S. , Rajaram Rajamohan , A. Subramania
Published: September 2024

The CuV2O6–V2CTx nanohybrid exhibits a maximum high specific capacity of 410 mA h g−1 at 0.1C and long cycle stability of 1000 cycle at 0.5C rate with a capacity retention of 88%.
Multilayer Ti3C2Tx MXene electrode decorated with polypyridine for efficient symmetric supercapacitors
Authors: Lin Peng , Wang Sibo , Liu Ailing , Yi Ting , Su Fei , Wang Hui , Xue Song , Zong Xueping
Published: September 2024

A multilayer Ti3C2Tx MXene electrode decorated with polypyridine was employed to fabricate an efficient symmetric supercapacitor.
Elucidating the mechanism of solid-state energy release from dianthracenes via auto-catalyzed cycloreversion
Authors: Raju Cijil , Sun Zhenhuan , Koibuchi Ryo , Choi Ji Yong , Chakraborty Subhayan , Park Jihye , Houjou Hirohiko , Schmidt-Rohr Klaus , Han Grace G. D.
Published: September 2024

A mechanistic investigation of molecular solar thermal energy release by solid-state cycloreversion of dianthracenes to anthracenes reveals the integral roles of chemical and physical transformations of molecules towards the total energy release.
Discerning molecular-level CO2 adsorption behavior in amine-modified sorbents within a controlled CO2/H2O environment towards direct air capture
Authors: Song Ah-Young , Young John , Wang Jieyu , Fricke Sophia N. , Piscina Katia , Giovine Raynald , Garcia Susana , van der Spek Mijndert , Reimer Jeffrey A.
Published: September 2024

CO2 adsorption is influenced by its concentration and H2O presence. While concentration governs chemisorbed species formation, H2O significantly impacts CO2 adsorption capacity, especially under dilute conditions mimicking direct air capture (DAC).
Aggregation-induced emission silence-mediated pathogen detection using a rapidly degradable nanographene-embedded polymersome
Authors: Cheng Chia-Yi , Varghese Eldhose V. , Wang Wen-Jyun , Yao Chia-Yu , Chen Chia-Hsiang , Li Wei-Peng
Published: September 2024

Enhancing the aggregation-induced emission (AIE) of nanographene by embedding it into the shell of bacteria-degradable polymersome was achieved, which enables an eye-visible AIE silence under the presence of bacteria for infected wound detection.
Recent advances of dinuclear dysprosium-based single-molecule magnets: from mechanisms to application
Authors: Tian Jiale , Du Jiyuan , Li Botan , Zhang Haibo , Zhang Yiyi , Sun Lin , Ma Pengtao
Published: September 2024

This review focused on the research of Dy2-SMMs for years and took the advantage of intricate relaxation mechanisms, manipulating strategies for synthesizing high-performance Dy2-SMMs to provide insights to design high-performance Dy2-SMMs.
Contactless pressure detection enabled by a hybrid 3D laser-printed nanophotonic sensor
Authors: Calabrò Francesca Romana , Mackosz Krzysztof , Theodosi Anna , Katsantonis Ioannis , Utke Ivo , Kafesaki Maria , Santonicola Maria Gabriella , Michler Johann , Xomalis Angelos , Schwiedrzik Jakob
Published: September 2024

Here, we propose a nanophotonic approach in which mechanical loading alters the optical behavior of photonic nanostructures. Using direct laser writing, we fabricate three-dimensional photonic structures on flexible substrates.
Probing the magnetic domain interaction and magnetocapacitance in PVDF – (nickel–cobalt–manganese ferrite)@barium titanate core–shell flexible nanocomposites
Authors: Deepa K. S. , Premkumar S. , Ray Bishakha , Datar Suwarna , Mathe V. L. , Rane Sunit B.
Published: September 2024

In this paper, we report a facile method to synthesize Ni0.93Co0.02Mn0.05Fe1.95O4−δ (NCMF)@BaTiO3 (BT) core–shell nanoparticles, analysed the impact of the BT shell phase on the magnetic domain distribution and its interaction on the final properties of the composites.
Construction of organic–inorganic hybrid composites derived from C3N5 incorporated with CeO2 for enhanced photocatalytic hydrogen evolution
Authors: Augustin Ashil , Yesupatham Manova Santhosh , Dhileepan M. D. , Son Sanguk , Ravindran Ezhakudiyan , Neppolian Bernaurdshaw , Kim Hyoung-il , Sekar Karthikeyan
Published: September 2024

We report the synthesis of a novel organic–inorganic hybrid composite comprising C3N5 integrated with CeO2 engineered to significantly enhance photocatalytic hydrogen evolution.
Biofortification to improve food security
Authors: Labuschagne Maryke
Published: September 2024

Crop biofortification has significantly progressed in the last few decades. The first biofortification success was quality protein maize, leading to double the amount of the essential amino acids lysine and tryptophan. This was followed by biofortification of staple crops such as maize, wheat, rice, legumes and cassava for nutrients such as Fe and Zn and provitamin A. These crops have reached millions of households, especially in the developing regions of the world. The development and release of these biofortified crops through conventional breeding generally took 8–10 years. To speed up the process, molecular markers, genome-wide association studies and genomic selection have been incorporated into breeding efforts. Genetic engineering has the potential to increase the efficiency of crop biofortification through multi-nutrient biofortification in a short timespan and to combine biofortification with climate resilience. Regulatory issues still prevent the dissemination of genetically modified crops in many countries. This could be overcome by CRISPR–Cas-mediated genome editing, as it seems that many countries will regulate products of genome editing less strictly than transgenic crops. Effective policies on national or regional level are needed for the sustainable production of biofortified crops. The availability of affordable quality biofortified seed and other inputs should be ensured through local seed systems, which will increase the production and adoption of biofortified crops. There is scope to expand the crops and the range of nutrients for biofortification. Genetic engineering should be combined with conventional breeding as a approach for future improvement of multi-nutrient crops.
IAPCP: An Effective Cross‐Project Defect Prediction Model via Intra‐Domain Alignment and Programming‐Based Distribution Adaptation
Authors: Zhang Nana , Zhu Kun , Zhu Dandan
Published: September 2024

Cross‐project defect prediction (CPDP) aims to identify defect‐prone software instances in one project (target) using historical data collected from other software projects (source), which can help maintainers allocate limited testing resources reasonably. Unfortunately, the feature distribution discrepancy between the source and target projects makes it challenging to transfer the matching feature representation and severely hinders CPDP performance. Besides, existing CPDP models require an intensively expensive and time‐consuming process to tune a lot of parameters. To address the above limitations, we propose an effective CPDP model named IAPCP based on distribution adaptation in this study, which consists of two stages: correlation alignment and intra‐domain programming. Correlation alignment first calculates the covariance matrices of the source and target projects and then erases some features of the source project (i.e., whitening operation) and employs the features of the target project (i.e., target covariance) to fill the source project, thereby well aligning the source and target feature distributions and reducing the distribution discrepancy across projects. Intra‐domain programming can directly learn a nonparametric linear transfer defect predictor with strong discriminative capacity by solving a probabilistic annotation matrix (PAM) based on the adjusted features of the source project. The model does not require model selection and parameter tuning. Extensive experiments on a total of 82 cross‐project pairs from 16 software projects demonstrate that IAPCP can achieve competitive CPDP effectiveness and efficiency compared with multiple state‐of‐the‐art baseline models.
Series arc‐fault diagnosis using convolutional neural network via generalized S‐transform and power spectral density
Authors: Zhang Penghe , Qin Yiwei
Published: September 2024

It is difficult to identify an arc fault accurately when the loads on the user side are more complicated, which hinders the development of low‐voltage monitoring and pre‐warning inspection. This study acquired a series of arc‐fault signals according to IEC 62606. The main time‐frequency features were strengthened with high efficiency by applying the generalized S‐transform to them with a bi‐Gaussian window. Further, the power spectrum density determination allowed for the detection of imperceptible high‐frequency harmonic energy reflections, thus increasing the rate of arc‐fault diagnosis and making it suitable for arc‐fault monitoring of non‐linear loads. The final samples were trained and classified using a 2D convolutional neural network and the overall accuracy of identification was observed to be 98.13%, which involved various domestic loads, thus providing a reference for follow‐up arc‐fault monitoring and inspection research.
Adenoma detection rate by colonoscopy in real-world population-based studies: a systematic review and meta-analysis
Authors: Fuccio Lorenzo , Dinis-Ribeiro Mário , Fernandes Carlos , Estevinho Manuela , Marques Cruz Manuel , Frazzoni Leonardo , Rodrigues Pedro Pereira
Published: September 2024

Background Adenoma detection rate (ADR) is a quality indicator set at a minimum of 25% in unselected populations by the European Society of Gastrointestinal Endoscopy (ESGE). Nevertheless, a lack of pooled observational data resembling real-world practice limits support for this threshold. We aimed to perform a systematic review with meta-analysis to evaluate the pooled rates for conventional adenoma detection, polyp detection (PDR), cecal intubation, bowel preparation, and complications in population-based studies.

Methods The PubMed, Scopus, and Web of Science databases were searched until May 2023 for populational-based studies reporting overall ADR in unselected individuals. A random-effects model was used for meta-analysis.

Results 31 studies were included, comprising 3 644 561 subjects. A high quality of procedures was noticeable, with a high cecal intubation rate and low complication rate. The overall pooled ADR, PDR, and rate of cancer detection were 26.5% (95%CI 23.3% to 29.7%), 38.3% (95%CI 32.5% to 44.1%), and 2.7% (95%CI 1.5% to 3.9%), respectively. ADR varied according to indication: screening 33.3% (95%CI 24.5% to 42.2%), surveillance 42.9% (95%CI 36.9% to 49.0%), and diagnostic 24.7% (95%CI 19.5% to 29.9%), with subgroup analysis revealing rates of 34.4% (95%CI 22.0% to 40.5%) for post-fecal occult blood test and 26.6% (95%CI 22.6% to 30.5%) for primary colonoscopy screening. Diminutive conventional adenomas yielded a pooled rate of 59.9% (95%CI 43.4% to 76.3%). The pooled rate for overall serrated lesion detection was 12.4% (95%CI 8.8% to 16.0%). Male sex and higher age were significantly associated with an ADR above the benchmark.

Conclusion This first meta-analysis relying on real-world observational studies supports the ESGE benchmark for ADR, while suggesting that different benchmarks might be used according to indication, sex, and age.
Fractional utilization of the 10-minute treadmill test velocity in
running performance
Authors: Antonio Dayanne Sampaio , Krause Maressa Priscilla , Fernando de Borba Edilson , Ulbrich Anderson Zampier , Buzzachera Cosme Franklim , Silva Sergio Gregorio
Published: September 2024

This study aimed to evaluate the applicability of the 10-minute submaximal
treadmill test (T10 test), a self-paced test, in determining critical speed (CS)
and predicting running performance. Specifically, we sought to identify the
percentage of T10 velocity (vT10) that runners performed in official distance
races, and to compare physiological and performance indicators between sexes. 60
recreational runners (n=34 males and n=26 females) underwent a maximum
incremental test, the novel T10 test, and ran 1200-m and 2400-m on the track.
Runners self-reported their best performance times. Generalized Linear Model was
used to compare running performances between sexes. For both males and females,
the %vT10 in 5 km, 10 km, and half-marathon races occurred at 107.5% and 106.5%,
99.9% and 100.8%, and 92.6% and 97.1%, respectively. There was no interaction
effect (p=0.520) and no main effect of sex (p=0.443). There was a main effect of
distance (p<0.001), indicating that %vT10 in the 5km race differed from that
found in the 10 km race (p=0.012), as well as in the half-marathon (p<0.001).
Our findings suggest that %vT10 values can be used to determine pace in
recreational endurance runners for race distances regardless of sex.
Fluorine-Thiol Displacement Stapling on the Disordered αB of pKID Domain Increases Its Helicity and Affinity to KIX
Authors: Wang Rongsheng E. , Cohen Carson B. , Andrews Andrew J.
Published: September 2024

The development of high-affinity ligands specifically targeting intrinsically disordered protein interactions has remained challenging due to the lack of well-defined binding pockets and shallow binding surfaces commonly found at their interfaces. Here, we employed our fluorine-thiol displacement reaction (FTDR) peptide-stapling platform to synthesize a library of peptide-based ligands derived from the αB-helix of the disordered pKID to target its binding partner KIX. Our library revealed that helical formation and affinity to KIX is highly favored when the αB peptide was stapled at sites corresponding to Arg135 and Ser142, further supporting the hypothesis that stabilization of αB significantly influences the overall binding affinity of pKID to KIX. We also found that the highest binding peptide, αB-RSpS, may form secondary contacts at the MLL site on KIX in addition to binding at the primary pKID site. Lastly, no binding to KIX was observed for any αB-stapled peptide that lacked the conserved helix-flanking prolines Pro132 and Pro146. Conserved helix-flanking prolines have previously been shown to modulate the binding affinities of other disordered domains in other proteins including MLL and p53. However, to our knowledge this is the first evidence within αB of pKID.
Electrochemical Trioxygenation of Allylarenes
Authors: Zhu Chen , Shen Tao , Jiang Yong , Li Yajuan
Published: September 2024

Trioxygenation is a highly effective method for rapidly increasing molecular complexity by incorporating three C–O bonds from simple, readily available raw materials. In this study, we present an electrochemical trioxygenation protocol for allylarenes, which enables the synthesis of a diverse array of triacetoxylation products without external chemical oxidants. These products, which are difficult to obtain through conventional methods, highlight the potential of electrochemistry in promoting sustainable synthesis.
Complex Regional Pain Syndrome Following Distal Radius Fracture: Does Surgical Method Matter?
Authors: Ludvigsen Trine , Hammer Ola-Lars , Fevang Jonas Meling , Matre Kjell , Dybvig Eva Hansen , Randsborg Per-Henrik
Published: September 2024

Background The purpose of this study was to compare the risk of complex regional pain syndrome (CRPS) following surgical treatment of distal radius fractures (DRFs) with either a volar locking plate (VLP) or an external fixator (EF).

Methods Data from two randomized controlled trials (RCTs) were merged and analyzed. A logistic regression analysis was conducted to identify independent risk factors for the occurrence of CRPS.

Results A total of 322 patients were included from the two RCTs; 159 patients were operated upon with VLP and 163 patients with EF. CRPS was diagnosed in 6 patients treated with VLP (4%) and in 16 patients receiving EF (11%), overall 22 cases of CRPS (7%). None of the other independent risk factors had a significant influence on the risk for CRPS (all p > 0.05).

Conclusion Patients treated with an EF had a higher risk of developing CRPS compared to those treated with a VLP. We found no other independent variable predicting CRPS.

Level of evidence III.
The Keystone Design Perforator Flap: A Flap to Simplify Complex Reconstructive Issues
Authors: Bonetti Camilla , Arleo Sergio , Valdatta Luigi , Faini Gianpaolo
Published: September 2024

Background The keystone design perforator island flap (KDPIF) was first described by Behan in 2003 as a pliable flap, suitable for all body areas thanks to its curvilinear shape, which made it apt to fit mostly all cutaneous defects.

Materials and Methods In this article, we aim to share our experience using KDPIF for the reconstruction of different defects. A retrospective analysis of patients who underwent cutaneous excision after trauma or tumor resection and reconstruction with a KDPIF at our department from 2020 to 2023 was performed. Patients' characteristics, indications, and operative and postoperative details were analyzed.

Results There was no complete flap loss. One patient experienced partial flap loss without exposure to major structures and needed skin grafting.

Conclusion Mapping of the perforators makes the keystone flap even more manageable, with the possibility to safely stretch and modify its design according to individual necessities.
Certolizumab Pegol in Crohn's Disease Management: A Multicentric Brazilian Observational Study
Authors: Furlan Thaisa Kowalski , Imbrizi Marcello , Magro Daniela , de Castro Paula C. Senger , Nones Rodrigo Bremer , Miranda Eron Fabio , Kotze Paulo G.
Published: September 2024

Introduction and Objectives Certolizumab Pegol (CZP) is an anti-TNF agent approved in Brazil for Crohn's disease (CD). There is a lack of data in Brazil and Latin America detailing real-world experiences with CZP. The primary objective was clinical remission in weeks 26 and 54. The secondary endpoints were clinical response in weeks 26 and 54, endoscopic remission, biological switch rates, rates of CD-related surgery, persistence with treatment over time, and adverse events. Remission and clinical response were defined as HBI ≤4 and ≥3 points reduction of HBI, respectively. Endoscopic remission was defined as the complete healing of the intestinal mucosa.

Methods This observational and retrospective study included patients with CD from 4 Brazilian centers who received CZP during their disease course.

Results Forty-five patients were included. The median age was 42.16 years old, 53.3% had perianal involvement, 37.8% had undergone previous surgery, and 71.1% of patients were anti-TNF naïve. Clinical remission was observed in 73.2% and 62.5% of patients at weeks 26 and 54, respectively. Clinical response was observed in 14.63% and 18.75% in weeks 26 and 54, respectively. Endoscopic remission was observed in 36.4% of patients. A switch to biological therapy was performed in 57.8% of patients. Eleven patients underwent abdominal surgery; 62.25% discontinued treatment with CZP, with a median of 16 months, and 22.2% presented drug-related adverse events.

Conclusions CZP in CD was associated with clinical remission and response rates compatible with international real-world case series. Most patients needed to switch to biological therapy due to inadequate disease control.
Study on the Immunomodulatory effect of Qixian Decoction in an Asthmatic Mice Model Based on Serum Metabolomics
Authors: Li Manman , Chen Qingge , Ni Zhenhua , Le Xinyi , Wu Tong
Published: September 2024

The study aimed to investigate the immunomodulatory effect of Qixian Decoction (QXT) in an asthmatic model. In this study, ovalbumin (OVA)-induced asthma in female SPF BALB/c mice was established. Mice were randomly divided into four groups (n = 8): a control group, an OVA model group, a low-dose Qixian Granules (KLL) group, and a high-dose Qixian Granules (KLH) group. Mice in the KLL and KLH groups were given the Qixian Granules at a dose of 8 and 16 g/kg, respectively. After the treatment, the lung pathology was evaluated. The expression of inflammatory factors was determined. Serum metabolomics was used to investigate the overall regulation of QXT on the metabolism of asthmatic mice. Our data showed that QXT significantly increased the expression levels of Th1-related interferon-γ, Treg-related interleukin (IL)-10, and transforming growth factor-β1 while decreasing Th1-related tumor necrosis factor α levels in bronchoalveolar lavage fluid, and Th2-related IL-4 and IL-5 levels in serum when compared with the model group (all p < 0.05). Serum metabolomics revealed 28 potential biomarkers associated with nine pathways. Compared with the control group, 19 different metabolites in the KLL group and 18 different metabolites in the KLH were reversed. QXT's therapeutic effect against asthma might be related to glycerophospholipid metabolism and arachidonic acid metabolism. In conclusion, QXT could ameliorate inflammation of the OVA-induced asthmatic mice, mainly by regulating the expression of immune-related factors, probably through regulating the Th1/Th2 immune balance and promoting the proliferation of Treg.