bluuebunny/crossref_metadata_2025_split huggingface dataset:
Heteroatom‐Driven Coordination Fields Altering Single Cerium Atom Sites for Efficient Oxygen Reduction Reaction
Authors: Yin Leilei , Zhang Shuai , Sun Mingzi , Wang Siyuan , Huang Bolong , Du Yaping 
Published: April 2023

AbstractFor current single‐atom catalysts (SACs), modulating the coordination environments of rare‐earth (RE) single atoms with complex electronic orbital and flexible chemical states is still limited. Herein, cerium (Ce) SAs supported on a P, S, and N co‐doped hollow carbon substrate (Ce SAs/PSNC) for the oxygen reduction reaction (ORR) are reported. The as‐prepared Ce SAs/PSNC possesses a half‐wave potential of 0.90 V, a turnover frequency value of 52.2 s−1 at 0.85 V, and excellent stability for the ORR, which exceeds the commercial Pt/C and most recent SACs. Ce SAs/PSNC‐based liquid zinc–air batteries (ZABs) exhibit a high and stable open‐circuit voltage of 1.49 V and a maximum power density of 212 mW cm−2. As the catalyst of the air cathode, it also displays remarkable performance in flexible electronic devices. Theoretical calculations reveal that the introduction of S and P sites induces significant electronic modulations to the Ce SA active sites. The P and S dopings promote the electroactivity of Ce SAs and improve the overall site‐to‐site electron transfer within the Ce SAs/PSNC. This work offers a unique perspective for modulating RE‐based SACs in a complex coordination environment toward superior electrocatalysis and broad applications in energy conversion and storage devices.
Hot Electron Dynamics in MoS2/Pt Van Der Waals Electrode Interface for Self‐Powered Hot Electron Photodetection
Authors: Hong Chengyun , Jang Seo Gyun , Yu Young‐Jun , Kim Ji‐Hee 
Published: April 2023

AbstractHot electron photodetection provides a powerful platform for photosensing beyond the bandgap of a semiconductor. High‐performing hot electron photodetection has been reported in 2D transition metal dichalcogenide material‐based devices without the support of plasmonic metal nanostructures but with planar metal electrodes. However, the mechanism driving hot electron dynamics in 2D transition metal dichalcogenide devices has not been explored. Here, we uncover the hot electron transfer in MoS2 and Pt van der Waals (vdW) metal electrodes by transient reflection spectroscopy, revealing a sub‐picosecond transfer time of hot electron and a decelerated recombination process in MoS2 at the below bandgap photoexcitation compared to the pristine MoS2. With an independent photocurrent mapping, the ultralong diffusion is revealed in MoS2/vdW metal electrode and a self‐powered near‐infrared (NIR) photodetector is demonstrated with a high responsivity of 6 mA W−1 and detectivity of 9 × 109 Jones at a wavelength of 1062 nm by integrating Pt and Ag asymmetric vdW electrodes into MoS2. The results will pave the way for the next generation of hot‐electron‐based self‐powered optoelectronic devices.
Cationic Molecular Metal Chalcogenide Ligand‐Passivated Colloidal Quantum Dots and Their Application to Suppressed Dark‐Current Near‐Infrared Photodetectors
Authors: Seo Haewoon , Eun Hyeong Ju , Choi Donghyeuk , Na Hyon Bin , Shim Yeongseok , Heo Junseok , Cho Kyung‐Sang , Kim Jong H. , Kim Sang‐Wook 
Published: April 2023

AbstractThe surface of colloidal‐type quantum dots (QDs) is protected with surfactants to maintain their nanoscale size and dispersion in various solvents. Such protection is advantageous to the processability of the dots, but the surfactants also act as insulators, thereby adversely affecting the electrical properties of the resulting devices. Anion‐type molecular metal chalcogenide complexes (MCCs) have been developed as an alternative to these surfactants. However, anionic ligands limit the charges of the resulting QDs to negative values; thus, additional processes are required to compensate for these charges. Herein, this work prepares cationic‐type dimetal diselenium perchlorate MCCs (M2Se2(ClO4)2, M = Mn, Zn, and Sn) and applies them to stabilize colloidal QDs. The resulting M2Se2‐PbS QDs are then used to fabricate near‐infrared photodetectors (NIR‐PDs). The devices exhibit remarkably suppressed dark current densities (JD) of as low as 4.92 × 10−10 A cm−2 when compared with PDs based on 1,2 ethandithiol‐PbS (EDT‐PbS) (JD = 1.41 × 10−8 A cm−2). In addition, the devices exhibit a high responsivity of 0.07 A W−1 in response to 950 nm NIR light signals, as well as an excellent specific detectivity of 5.66 × 1012 Jones at 950 nm. Finally, this work fabricates hybrid‐type QD films using cationic and anionic MCC‐PbS QDs and obtains a high external quantum efficiency (EQE) of 13.1%.
An All‐MXene‐Based Flexible, Seamless System with Integrated Wireless Charging Coil, Micro‐Supercapacitor, and Photodetector
Authors: Duan Zhongyi , Hu Chuqiao , Liu Weijia , Liu Jinhai , Chu Zhengyu , Yang Weiqing , Li La , Shen Guozhen 
Published: April 2023

AbstractFabrication of miniature‐integrated devices combining energy harvester, energy storage, and various sensors via simple, fast, and efficient ways is strongly desired for the practical application of integrated smart systems. Herein, this work presents a simple one‐step laser scribing method to prepare an all MXene‐based seamlessly integrated system with integrated wireless charging coil, micro‐supercapacitor, and photodetector in a small area of only 1.78 cm2. All the three modules in the integrated system are composed entirely of Ti3C2Tx MXene and are connected with highly conductive MXene wires without additional welding or assembling operation. The energy is first received by the wireless charging coil and then stored in the Zn‐ion micro‐supercapacitor, which is subsequently used to drive the surface‐modified (dodecyl triethoxysilane) DCTES‐MXene‐based photodetector, thus realizing the complete energy cycles. This work conceptually illustrates a simple method for designing and preparing integrated multifunctional wearable devices.
Wake‐Riding Effect‐Inspired Opto‐Hydrodynamic Diatombot for Non‐Invasive Trapping and Removal of Nano‐Biothreats
Authors: Xiong Jianyun , Shi Yang , Pan Ting , Lu Dengyun , He Ziyi , Wang Danning , Li Xing , Zhu Guoshuai , Li Baojun , Xin Hongbao 
Published: April 2023

AbstractContamination of nano‐biothreats, such as viruses, mycoplasmas, and pathogenic bacteria, is widespread in cell cultures and greatly threatens many cell‐based bio‐analysis and biomanufacturing. However, non‐invasive trapping and removal of such biothreats during cell culturing, particularly many precious cells, is of great challenge. Here, inspired by the wake‐riding effect, a biocompatible opto‐hydrodynamic diatombot (OHD) based on optical trapping navigated rotational diatom (Phaeodactylum tricornutum Bohlin) for non‐invasive trapping and removal of nano‐biothreats is reported. Combining the opto‐hydrodynamic effect and optical trapping, this rotational OHD enables the trapping of bio‐targets down to sub‐100 nm. Different nano‐biothreats, such as adenoviruses, pathogenic bacteria, and mycoplasmas, are first demonstrated to be effectively trapped and removed by the OHD, without affecting culturing cells including precious cells such as hippocampal neurons. The removal efficiency is greatly enhanced via reconfigurable OHD array construction. Importantly, these OHDs show remarkable antibacterial capability, and further facilitate targeted gene delivery. This OHD serves as a smart micro‐robotic platform for effective trapping and active removal of nano‐biothreats in bio‐microenvironments, and especially for cell culturing of many precious cells, with great promises for benefiting cell‐based bio‐analysis and biomanufacturing.
Goldenrod herbariomics: Hybrid‐sequence capture reveals the phylogeny of Solidago
Authors: Semple John C. , McMinn‐Sauder Harper , Stover Melissa , Lemmon Alan R. , Lemmon Emily Moriarty , Beck James B. 
Published: April 2023

AbstractPremiseThe phylogenetic relationships among the ca. 138 species of goldenrods (Solidago; Asteraceae) have been difficult to infer due to species richness, and shallow interspecific genetic divergences. This study aims to overcome these obstacles by combining extensive sampling of goldenrod herbarium specimens with the use of a custom Solidago hybrid‐sequence capture probe set.MethodsA set of tissues from herbarium samples comprising ca. 90% of Solidago species was assembled and DNA was extracted. A custom hybrid‐sequence capture probe set was designed, and data from 854 nuclear regions were obtained and analyzed from 209 specimens. Maximum likelihood and coalescent approaches were used to estimate the genus phylogeny for 157 diploid samples.ResultsAlthough DNAs from older specimens were both more fragmented and produced fewer sequencing reads, there was no relationship between specimen age and our ability to obtain sufficient data at the target loci. The Solidago phylogeny was generally well‐supported, with 88/155 (57%) nodes receiving ≥95% bootstrap support. Solidago was supported as monophyletic, with Chrysoma pauciflosculosa identified as sister. A clade comprising Solidago ericameriodes, Solidago odora, and Solidago chapmanii was identified as the earliest diverging Solidago lineage. The previously segregated genera Brintonia and Oligoneuron were identified as placed well within Solidago. These and other phylogenetic results were used to establish four subgenera and fifteen sections within the genus.ConclusionsThe combination of expansive herbarium sampling and hybrid‐sequence capture data allowed us to quickly and rigorously establish the evolutionary relationships within this difficult, species‐rich group.
Setting‐based skin cancer prevention at the workplace: A survey among German outdoor workers
Authors: Görig Tatiana , Breitbart Eckhard W. , Drexler Hans , Diehl Katharina 
Published: April 2023

AbstractBackgroundOutdoor workers are at increased risk of developing skin cancer. Setting‐based prevention at the workplace can reduce the UV exposure of outdoor workers through appropriate technical or organizational measures. We explored the implementation of setting‐based UV protection at the workplace in Germany from the perspective of outdoor workers.MethodsA Germany‐wide sample of 319 outdoor workers from different employment sectors (64.3% male) was surveyed via telephone on different technical and organizational measures for UV protection at the workplace. Bivariate analyses were performed to explore associations with job‐related characteristics.ResultsIn general, 28.0% were rarely or never provided with a place in the shade during working hours, and 27.4% rarely or never provided with a shaded place during breaks. One‐third had rarely or never the opportunity to work in the shade on hot summer days. Overall, 51.9% reported receiving protective clothing from their employer, 45.5% were provided with headgear, and 25.1% with sunscreen. About one‐third had often or always the option of starting work earlier in the morning on hot summer days to work less in the sun, while 18.6% had to work overtime on such days. One‐third (35.4%) had been educated at work about risks of solar radiation and sun protection measures.ConclusionsOur study is among the first to present findings on the implementation of different setting‐based UV protection measures at the workplace and provides starting points for employers and policy makers to improve UV protection at the workplace.
Hippocampal metabolic subregions and networks: Behavioral, molecular, and pathological aging profiles
Authors: Maleki Balajoo Somayeh , Eickhoff Simon B. , Masouleh Shahrzad Kharabian , Plachti Anna , Waite Laura , Saberi Amin , Bahri Mohamed Ali , Bastin Christine , Salmon Eric , Hoffstaedter Felix , Palomero‐Gallagher Nicola , Genon Sarah 
Published: April 2023

AbstractINTRODUCTIONHippocampal local and network dysfunction is the hallmark of Alzheimer's disease (AD).METHODSWe characterized the spatial patterns of hippocampus differentiation based on brain co‐metabolism in healthy elderly participants and demonstrated their relevance to study local metabolic changes and associated dysfunction in pathological aging.RESULTSThe hippocampus can be differentiated into anterior/posterior and dorsal cornu ammonis (CA)/ventral (subiculum) subregions. While anterior/posterior CA show co‐metabolism with different regions of the subcortical limbic networks, the anterior/posterior subiculum are parts of cortical networks supporting object‐centered memory and higher cognitive demands, respectively. Both networks show relationships with the spatial patterns of gene expression pertaining to cell energy metabolism and AD's process. Finally, while local metabolism is generally lower in posterior regions, the anterior–posterior imbalance is maximal in late mild cognitive impairment with the anterior subiculum being relatively preserved.DISCUSSIONFuture studies should consider bidimensional hippocampal differentiation and in particular the posterior subicular region to better understand pathological aging.
A compendium of stable hotspots in the CHO genome
Authors: Hilliard William , Lee Kelvin H. 
Published: April 2023

AbstractThe use of targeted integration for industrial CHO cell line development currently requires significant upfront effort to identify genomic loci capable of supporting multigram per liter therapeutic protein production from a limited number of transgene copies. To address this barrier to widespread adoption, we characterized transgene expression from thousands of stable hotspots in the CHO genome using the Thousands of Reporters Integrated in Parallel high‐throughput screening method. This genome‐scale data set was used to define a limited set of epigenetic properties of hotspot regions with sizes on the order of 10 kb. Cell lines with landing pad integrations at eight retargeted hotspot candidates consistently exhibited higher transgene mRNA expression than a commercially viable hotspot in equivalent culture conditions. Initial benchmarking of NISTmAb and trastuzumab productivity from one of these hotspots yielded mAb productivities of approximately 0.7–2 g/L (qP range: 2.9–8.2 pg/cell/day) in small‐scale fed‐batches. These findings indicate the list of hotspot candidates identified here will be a valuable resource for targeted integration platform development within the CHO community.
Impact of long‐term management with sleep medications on blood pressure: An Australian national study
Authors: Begum Mumtaz , Gonzalez‐Chica David , Bernardo Carla , Stocks Nigel 
Published: April 2023

AbstractBackgroundThere is mixed evidence about the impact of long‐term management with hypnotic medications on blood pressure (BP).AimTo estimate the effect of short‐ and long‐term management with benzodiazepine and z‐drugs (BZD) on BP.MethodOpen cohort study using deidentified electronic health records of 523,486 adult regular patients (42.3% males; mean age 59.0 ± 17.0 years) annually attending 402 Australian general practices between 2016 to 2018 (MedicineInsight database). Average treatment effects (ATE) of recorded incident BZD prescriptions in 2017 on systolic (SBP) and diastolic (DBP) BP after starting these prescriptions were computed using augmented inverse probability weighting (AIPW).ResultsIn 2017, 16,623 new cases of short‐term management with BZD and 2532 cases of long‐term management with BZD were identified (incidence 3.2% and 0.5%, respectively). The mean BP among those not treated with BZD (reference group) was 130.9/77.3 mmHg. Patients prescribed short‐term BZD showed a slightly higher SBP (ATE 0.4; 95% CI 0.1, 0.7) and DBP (ATE 0.5; 95% CI 0.3, 0.7), while those on long‐term BZD prescriptions showed lower SBP (ATE ‐1.1; 95% CI −2.0, −0.2), but no effect on DBP (ATE −0.1; 95% CI −0.8, 0.5). However, long‐term BZD prescriptions showed a stronger BP‐lowering effect among patients aged 65+ years (SBP ATE −2.5 [95% CI −3.8, −1.3]; DBP ATE −1.0 [95% CI −1.7, −0.2]), but almost no effect was observed among younger patients.ConclusionLong‐term management with BZD had a BP‐lowering effect among older patients. These findings add new evidence to current recommendations on limiting long‐term BZD management in the elderly.
Prediction of drug permeation through microneedled skin by machine learning
Authors: Yuan Yunong , Han Yiting , Yap Chun Wei , Kochhar Jaspreet S. , Li Hairui , Xiang Xiaoqiang , Kang Lifeng 
Published: April 2023

AbstractStratum corneum is the outermost layer of the skin preventing external substances from entering human body. Microneedles (MNs) are sharp protrusions of a few hundred microns in length, which can penetrate the stratum corneum to facilitate drug permeation through skin. To determine the amount of drug delivered through skin, in vitro drug permeation testing is commonly used, but the testing is costly and time‐consuming. To address this issue, machine learning methods were employed to predict drug permeation through the skin, circumventing the need of conducting skin permeation experiments. By comparing the experimental data and simulated results, it was found extreme gradient boosting (XGBoost) was the best among the four simulation methods. It was also found that drug loading, permeation time, and MN surface area were critical parameters in the models. In conclusion, machine learning is useful to predict drug permeation profiles for MN‐facilitated transdermal drug delivery.
Metastasis risk stratification and response prediction through dynamic viable circulating tumor cell counts for rectal cancer in a neoadjuvant setting
Authors: Liu Wen‐Yang , Zhang Wen , Tang Yuan , Chen Si‐Lin , Li Ning , Lei Jun‐Qin , Shi Jin‐Ming , Wang Shu‐Lian , Li Ye‐Xiong , Zhang Kai‐Tai , Jin Jing 
Published: April 2023

AbstractPurposeDistant metastasis (DM) and neoadjuvant treatment response prediction remain critical challenges in the management of locally advanced rectal cancer (LARC). The aim of this study was to investigate the clinical relevance of viable circulating tumor cells (CTCs) for DM or response in patients with LARC in a neoadjuvant setting.MethodsThe detection of viable CTCs at different stages of treatment was planned for consecutive patients from a prospective trial. The Kaplan–Meier method, Cox proportional hazards model, and logistic regression model were utilized to analyze factors associated with DM or pathological complete response (pCR) and clinical complete response (cCR).ResultsBetween December 2016 and July 2018, peripheral blood samples from 83 patients were collected before any treatment (median follow‐up time, 49.3 months). CTCs were present in 76 of 83 patients (91.6%) at baseline, and more than three CTCs detected in the blood sample was considered high risk. Only the CTC risk group was significantly associated with 3‐year metastasis‐free survival (MFS) (high risk vs. low risk, 57.1% (95% CI, 41.6–72.6) vs. 78.3% (95% CI, 65.8–90.8), p = 0.018, log‐rank test). When all the important variables were entered into the Cox model, the CTC risk group remained the only significant independent factor for DM (hazard ratio (HR), 2.74; 95% CI, 1.17–6.45, p = 0.021). The pCR and continuous cCR rates were higher in patients with a decreased number of CTCs of more than one after radiotherapy (HR, 4.00; 95% CI, 1.09–14.71, P = 0.037).ConclusionsThe dynamic detection of viable CTCs may strengthen pretreatment risk assessment and postradiotherapy decision making for LARC. This observation requires further validation in a prospective study.
Structure‐Based Drug Discovery with Deep Learning**
Authors: Özçelik R. , van Tilborg D. , Jiménez‐Luna J. , Grisoni F. 
Published: April 2023

AbstractArtificial intelligence (AI) in the form of deep learning has promise for drug discovery and chemical biology, for example, to predict protein structure and molecular bioactivity, plan organic synthesis, and design moleculesde novo. While most of the deep learning efforts in drug discovery have focused on ligand‐based approaches, structure‐based drug discovery has the potential to tackle unsolved challenges, such as affinity prediction for unexplored protein targets, binding‐mechanism elucidation, and the rationalization of related chemical kinetic properties. Advances in deep‐learning methodologies and the availability of accurate predictions for protein tertiary structure advocate for arenaissancein structure‐based approaches for drug discovery guided by AI. This review summarizes the most prominent algorithmic concepts in structure‐based deep learning for drug discovery, and forecasts opportunities, applications, and challenges ahead.
De Novo Design of Polyhedral Protein Assemblies: Before and After the AI Revolution
Authors: Mallik Bhoomika Basu , Stanislaw Jenna , Alawathurage Tharindu Madhusankha , Khmelinskaia Alena 
Published: April 2023

AbstractSelf‐assembling polyhedral protein biomaterials have gained attention as engineering targets owing to their naturally evolved sophisticated functions, ranging from protecting macromolecules from the environment to spatially controlling biochemical reactions. Precise computational design of de novo protein polyhedra is possible through two main types of approaches: methods from first principles, using physical and geometrical rules, and more recent data‐driven methods based on artificial intelligence (AI), including deep learning (DL). Here, we retrospect first principle‐ and AI‐based approaches for designing finite polyhedral protein assemblies, as well as advances in the structure prediction of such assemblies. We further highlight the possible applications of these materials and explore how the presented approaches can be combined to overcome current challenges and to advance the design of functional protein‐based biomaterials.
Endangered indigenous rice varieties as a source of B vitamins for the undernourished population
Authors: Roy Priyabrata , Deb Debal , Suganya Arunan , Roy Brindaban , Pradeep Thalappil , Saha Tanima 
Published: April 2023

AbstractBackground and ObjectivesRice is a staple food for half of the world's population and plays an important role to deliver several micronutrients including B vitamins to humans. The present investigation was carried out to detect some B vitamins and estimate their concentrations in 309 traditional indica rice landraces, compared with three modern rice varieties predominantly available in the Indian market.FindingsLiquid chromatographic examination of the rice samples demonstrated that a large number of traditional rice landraces contained considerable amounts of different B vitamins. In the landraces examined, vitamin B1 (thiamine) was recorded to be present in the range of 0.01–10.55 mg/100 g, vitamin B2 (riboflavin) 0.01–2.63 mg/100 g, vitamin B3 (niacin) 0.20–4.52 mg/100 g, vitamin B5 (pantothenic acid) 0.01–18.55 mg/100 g, vitamin B6 (pyridoxine) 0.01–0.86 mg/100 g, and vitamin B7 (biotin) 0.01–5.90 mg/100 g in different rice landraces.ConclusionCompared with traditional rice, modern rice cultivars seem to have substantially lower B vitamin levels. It appears that these vitamin‐rich traditional rice landraces if incorporated into daily diet, may serve to attain nutritional security of the poor.Significance and NoveltyOur results show that many traditional rice landraces are nutritionally superior to any modern rice cultivar, even though traditional rice landraces are normally not in priority for agronomic research and development. This study shows how native rice landraces may be leveraged to constitute novel nutritious diet that could enhance human health.