bluuebunny/crossref_metadata_2025 huggingface dataset:
Age-related macular degeneration eyes presenting with cuticular drusen and reticular pseudodrusen
Authors: Yoon Je Moon , Shin Dong Hoon , Kong Mingui , Ham Don-Il
Published: April 2022

This study aimed to describe the clinical characteristics of age-related macular degeneration (AMD) eyes with both cuticular drusen (CD) and reticular pseudodrusen (RPD). Clinical records of patients diagnosed with CD or RPD with multimodal imaging was reviewed for patients diagnosed with both CD and RPD. The distribution patterns of CD (macular and diffuse type) and RPD (localized, intermediate, and diffuse type), presence of soft drusen, large drusen (> 200 µm), variant subretinal drusenoid deposits, and macular complications were investigated. Of the 220 eyes of 110 patients diagnosed with CD and 926 eyes of 463 patients diagnosed with RPD, 13 eyes of seven patients met the diagnostic criteria for both CD and RPD. The mean age at initial presentation was 71.4 ± 8.8 years and six patients were female. The mean subfoveal choroidal thickness was 143.8 ± 25.1 µm. The distribution of CD was of the macular type in all eyes. Distribution of RPD was localized in 11 eyes (84.6%) and intermediate in two eyes (15.4%). Soft drusen, large drusen, and variant subretinal drusenoid deposits were present in 13 (100%), 12 (92.3%) and, seven (53.8%) eyes, respectively. Macular neovascularization was observed in two eyes (15.4%). CD and RPD can coexist in eyes with AMD. Multimodal imaging should be used for AMD eyes with features suggestive of CD and RPD, considering the high likelihood of developing late AMD.
Importance of ozone precursors information in modelling urban surface ozone variability using machine learning algorithm
Authors: Balamurugan Vigneshkumar , Balamurugan Vinothkumar , Chen Jia
Published: April 2022

Surface ozone (O$$_3$$

3

) is primarily formed through complex photo-chemical reactions in the atmosphere, which are non-linearly dependent on precursors. Even though, there have been many recent studies exploring the potential of machine learning (ML) in modeling surface ozone, the inclusion of limited available ozone precursors information has received little attention. The ML algorithm with in-situ NO information and meteorology explains 87% (R$$^{2}$$

2

= 0.87) of the ozone variability over Munich, a German metropolitan area, which is 15% higher than a ML algorithm that considers only meteorology. The ML algorithm trained for the urban measurement station in Munich can also explain the ozone variability of the other three stations in the same city, with R$$^{2}$$

2

= 0.88, 0.91, 0.63. While the same model robustly explains the ozone variability of two other German cities’ (Berlin and Hamburg) measurement stations, with R$$^{2}$$

2

ranges from 0.72 to 0.84, giving confidence to use the ML algorithm trained for one location to other locations with sparse ozone measurements. The inclusion of satellite O$$_3$$

3

precursors information has little effect on the ML model’s performance.
A mixed-methods exploration of virtual reality as a tool to promote green exercise
Authors: Calogiuri G. , Keegan B. J. , Birkheim S. L. , Rydgren T. L. , Flaten O. E. , Fröhlich F. , Litleskare S.
Published: April 2022

The salutogenic effects of green exercise are widely recognised, yet many individuals do not engage in this health-related behaviour. Using a convergent mixed methods approach, this study explored the impact of experiencing nature through Virtual Reality (VR) on the decision-making process relating to green exercise. Three experimental trials were conducted (overall n = 136), in which healthy adults were exposed to different VR scenarios reproducing a virtual walk in an existing urban green area. Participants reported medium–high rating of intent to visit the location. Significant pre-to-post increments in future green exercise intention were observed after the VR exposure, though a significance difference was not achieved in comparison with a control condition. Qualitative analysis revealed the impact of the VR experience on behaviour regulation, and highlighted the pivotal role of anticipated emotional benefits. Despite scepticism, the VR experience was effective in arousing curiosity to explore natural environments, which was associated with environmental perceptions as well as nostalgic and socio-cultural perspectives.
High-throughput translational profiling with riboPLATE-seq
Authors: Metz Jordan B. , Hornstein Nicholas J. , Sharma Sohani Das , Worley Jeremy , Gonzalez Christian , Sims Peter A.
Published: April 2022

Protein synthesis is dysregulated in many diseases, but we lack a systems-level picture of how signaling molecules and RNA binding proteins interact with the translational machinery, largely due to technological limitations. Here we present riboPLATE-seq, a scalable method for generating paired libraries of ribosome-associated and total mRNA. As an extension of the PLATE-seq protocol, riboPLATE-seq utilizes barcoded primers for pooled library preparation, but additionally leverages anti-rRNA ribosome immunoprecipitation on whole polysomes to measure ribosome association (RA). We compare RA to its analogue in ribosome profiling and RNA sequencing, translation efficiency, and demonstrate both the performance of riboPLATE-seq and its utility in detecting translational alterations induced by specific inhibitors of protein kinases.
Trend clustering from COVID-19 tweets using graphical lasso-guided iterative principal component analysis
Authors: Harakawa Ryosuke , Ito Tsutomu , Iwahashi Masahiro
Published: April 2022

This article presents a method for trend clustering from tweets about coronavirus disease (COVID-19) to help us objectively review the past and make decisions about future countermeasures. We aim to avoid detecting usual trends based on seasonal events while detecting essential trends caused by the influence of COVID-19. To this aim, we regard daily changes in the frequencies of each word in tweets as time series signals and define time series signals with single peaks as target trends. To successfully cluster the target trends, we propose graphical lasso-guided iterative principal component analysis (GLIPCA). GLIPCA enables us to remove trends with indirect correlations generated by other essential trends. Moreover, GLIPCA overcomes the difficulty in the quantitative evaluation of the accuracy of trend clustering. Thus, GLIPCA’s parameters are easier to determine than those of other clustering methods. We conducted experiments using Japanese tweets about COVID-19 from March 8, 2020, to May 7, 2020. The results show that GLIPCA successfully distinguished trends before and after the declaration of a state of emergency on April 7, 2020. In addition, the results reveal the international argument about whether the Tokyo 2020 Summer Olympics should be held. The results suggest the tremendous social impact of the words and actions of Japanese celebrities. Furthermore, the results suggest that people’s attention moved from worry and fear of an unknown novel pneumonia to the need for medical care and a new lifestyle as well as the scientific characteristics of COVID-19.
Superionic states formation in group III oxides irradiated with ultrafast lasers
Authors: Voronkov R. A. , Medvedev N. , Volkov A. E.
Published: April 2022

After ultrafast laser irradiation, a target enters a poorly explored regime where physics of a solid state overlaps with plasma physics and chemistry, creating an unusual synergy—a warm dense matter state (WDM). We study theoretically the WDM kinetics and chemistry in a number of group III-metal oxides with highly excited electronic system. We employ density functional theory to investigate a possibility of nonthermal transition of the materials into a superionic state under these conditions. Atomic and electronic properties of the materials are analyzed during the transitions to acquire insights into physical mechanisms guiding such transformations.
Improved method of fire hazard assessment taking into account the effect of the primary temperature of a coal seam on the desorption ratio of gas indicators
Authors: Więckowski Marek , Howaniec Natalia , Smoliński Adam
Published: April 2022

The methods of fire risk assessment in its early phase employed so far used to take into account only the temperature of the heating of coal. The research works reported so far in this field have been conducted at ambient temperatures, without considering the rock mass primary temperature occurring in a particular coal seam and neglecting the depth of coal seams. The method for the determination of the composition of gases emitted from coal samples, employed in the study presented here, takes into account the effect of rock mass pressure, and therefore the depth of the coal seam, as well as the temperature typical for the rock mass in a particular coal mine. In the paper the results of the experimental research on the effects of the primary temperature of a coal seam on the content of gases emitted from coal, performed with the use of a specially designed experimental stand are presented. The method may be useful in developing fire hazard predictions for longwalls with residual coal in goafs. The relations between the self-ignition characteristics as well as selected physical properties of coal samples and carbon monoxide emission were also given. The research results proved that the accurate fire hazard assessment requires considering other than just self-heating of coal causes of carbon monoxide emission, including the rock mass primary temperature, which is expected to improve the existing methods of fire risk assessment in coal mines and post-mining areas.
Fusion of fully integrated analog machine learning classifier with electronic medical records for real-time prediction of sepsis onset
Authors: Sadasivuni Sudarsan , Saha Monjoy , Bhatia Neal , Banerjee Imon , Sanyal Arindam
Published: April 2022

The objective of this work is to develop a fusion artificial intelligence (AI) model that combines patient electronic medical record (EMR) and physiological sensor data to accurately predict early risk of sepsis. The fusion AI model has two components—an on-chip AI model that continuously analyzes patient electrocardiogram (ECG) data and a cloud AI model that combines EMR and prediction scores from on-chip AI model to predict fusion sepsis onset score. The on-chip AI model is designed using analog circuits for sepsis prediction with high energy efficiency for integration with resource constrained wearable device. Combination of EMR and sensor physiological data improves prediction performance compared to EMR or physiological data alone, and the late fusion model has an accuracy of 93% in predicting sepsis 4 h before onset. The key differentiation of this work over existing sepsis prediction literature is the use of single modality patient vital (ECG) and simple demographic information, instead of comprehensive laboratory test results and multiple vital signs. Such simple configuration and high accuracy makes our solution favorable for real-time, at-home use for self-monitoring.
Vulnerability to climate change of species in protected areas in Thailand
Authors: Pomoim Nirunrut , Hughes Alice C. , Trisurat Yongyut , Corlett Richard T.
Published: April 2022

Although 23% of Thailand’s land is in protected areas, these are vulnerable to climate change. We used spatial distribution modelling for 866 vertebrate and 591 plant species to understand potential climate change impacts on species in protected areas. Most mammals, birds, and plants were projected to decline by 2070, but most amphibians and reptiles were projected to increase. By 2070 under RCP8.5, 54% of modeled species will be threatened and 11 nationally extinct. However, SDMs are sensitive to truncation of the climate space currently occupied by habitat loss and hunting, and apparent truncation by data limitations. In Thailand, lowland forest clearance has biased records for forest-dependent species to cooler uplands (> 250 m a.s.l.) and hunting has confined larger vertebrates to well-protected areas. In contrast, available data is biased towards lowland non-forest taxa for amphibians and reptiles. Niche truncation may therefore have resulted in overestimation of vulnerability for some mammal and plant species, while data limitations have likely led to underestimation of the threat to forest-dependent amphibians and reptiles. In view of the certainty of climate change but the many uncertainties regarding biological responses, we recommend regular, long-term monitoring of species and communities to detect early signals of climate change impacts.
Elements of chronic disease management service system: an empirical study from large hospitals in China
Authors: Zhao Shuzhen , Du Renjie , He Yanhua , He Xiaoli , Jiang Yaxin , Zhang Xinli
Published: April 2022

At present, more patients suffer from multiple chronic diseases. However, the hospital's existing chronic disease management is carried out according to the department. This means that a patient needs to go to more than one department for a chronic disease treatment. Therefore, this study proposes 6 dimensions (organizational management, medical service support, medical service, community alliance, self-management support, management information system) and 36 questions, to help evaluate the current chronic disease management system in China's large third-class hospitals. In this study, 143 survey samples from doctors and nurses were collected. A principal component analysis was used to extract three key elements of chronic disease management service delivery system (service management organization, management information system, medical core service). Then, multiple regression was used to establish the relationship model between the overall performance of the system and the main elements. Three key service nodes of the system (medical specialist support, patient tracking management and personalized intervention) were determined according to the weight of the regression model. The regression coefficients of the above three main elements show a similar impact on the overall performance of the system, but the key service nodes under each major element have relative differences, including medical specialist support, patient tracking management and personalized intervention. Finally, to establish a chronic disease management system with multiple departmental continuous care for chronic diseases, it is necessary to improve the chronic disease management system from three aspects of medical specialty support, patient tracking management and personalized intervention. This paper proposes corresponding improvement strategies.
The thickness of the ventral medial prefrontal cortex predicts the prior-entry effect for allocentric representation in near space
Authors: Huang Jie , Wang Aijun , Tang Xiaoyu , Zhang Ming
Published: April 2022

Neuropsychological studies have demonstrated that the preferential processing of near-space and egocentric representation is associated with the self-prioritization effect (SPE). However, relatively little is known concerning whether the SPE is superior to the representation of egocentric frames or near-space processing in the interaction between spatial reference frames and spatial domains. The present study adopted the variant of the shape-label matching task (i.e., color-label) to establish an SPE, combined with a spatial reference frame judgment task, to examine how the SPE leads to preferential processing of near-space or egocentric representations. Surface-based morphometry analysis was also adopted to extract the cortical thickness of the ventral medial prefrontal cortex (vmPFC) to examine whether it could predict differences in the SPE at the behavioral level. The results showed a significant SPE, manifested as the response of self-associated color being faster than that of stranger-associated color. Additionally, the SPE showed a preference for near-space processing, followed by egocentric representation. More importantly, the thickness of the vmPFC could predict the difference in the SPE on reference frames, particularly in the left frontal pole cortex and bilateral rostral anterior cingulate cortex. These findings indicated that the SPE showed a prior entry effect for information at the spatial level relative to the reference frame level, providing evidence to support the structural significance of the self-processing region.
Locoregional tumor burden and risk of mortality in metastatic breast cancer
Authors: Yang Sherry X. , Hewitt Stephen M. , Yu John
Published: April 2022

The role of lymph node involvement and tumor size in metastatic disease including breast cancer is unclear. Here, nodal metastasis and T stage on the risk of mortality were investigated in de novo metastatic breast cancer population (35812 patients) in the Surveillance, Epidemiology, and End Results (SEER) Program database in the United States. We found an association between all-cause mortality and regional node involvement (adjusted hazard ratio [HR] = 1.45, 95% confidence interval [CI] 1.36–1.55, p < 0.0001) or T stage (HR = 1.20, 95% CI 1.14–1.25, p < 0.0001), independent of known clinicopathologic measurements. Number of positive nodes, and size and chest wall involvement of the breast tumors exhibited similar significance for breast cancer-specific mortality in the population (p < 0.0001 each), and all-cause mortality in hormone receptor (HR)-positive/HER2-negative (HR+/HER2–), HR+/HER2+, HR–/HER2+ and triple-negative metastatic breast cancer subtypes. Thus, nodal involvement and T stage are independent risk factors for mortality in the population of de novo metastatic breast cancer.
Dual-phase MoS2/MXene/CNT ternary nanohybrids for efficient electrocatalytic hydrogen evolution
Authors: Wei Sichen , Fu Yu , Liu Maomao , Yue Hongyan , Park Sehwan , Lee Young Hee , Li Huamin , Yao Fei
Published: April 2022

Two-dimensional (2D) molybdenum disulfide (MoS2) has been recognized as a potential substitution of platinum (Pt) for electrochemical hydrogen evolution reaction (HER). However, the broad adoption of MoS2 is hindered by its limited number of active sites and low inherent electrical conductivity. In this work, we employed a one-step solvothermal synthesis technique to construct a ternary hybrid structure consisting of dual-phase MoS2, titanium carbide (Ti3C2) MXene, and carbon nanotubes (CNTs), and demonstrated synergistic effects for active site exposure, surface area enlargement, and electrical conductivity improvement of the catalyst. The dual-phase MoS2 (DP-MoS2) is directly formed on the MXene with CNTs acting as crosslinks between 2D islands. The existence of edge-enriched metallic phase MoS2, the conductive backbone of MXene along with the crosslink function of CNTs clearly improves the overall HER performance of the ternary nanocomposite. Moreover, the integration of MoS2 with MXene not only increases the interlayer distance of the 2D layers but also partially suppresses the MXene oxidation and the 2D layer restacking, leading to good catalytic stability. As a result, an overpotential of 169 mV and a low Tafel slope of 51 mV/dec was successfully achieved. This work paves a way for 2D-based electrocatalyst engineering and sheds light on the development of the next-generation noble metal-free HER electrocatalysts.
Cell environment shapes TDP-43 function with implications in neuronal and muscle disease
Authors: Šušnjar Urša , Škrabar Neva , Brown Anna-Leigh , Abbassi Yasmine , Phatnani Hemali ,   NYGC ALS Consortium, Phatnani H. , Fratta P. , Kwan J. , Sareen D. , Broach J. R. , Simmons Z. , Arcila-Londono X. , Lee E. B. , Van Deerlin V. M. , Shneider N. A. , Fraenkel E. , Ostrow L. W. , Baas F. , Berry J. D. , Butovsky O. , Baloh R. H. , Shalem Ophir , Heiman-Patterson T. , Stefanis L. , Chandran S. , Pal S. , Smith C. , Malaspina A. , Hammell M. G. , Patsopoulos N. A. , Dubnau J. , Poss M. , Zhang B. , Zaitlen N. , Hornstein E. , Miller T. M. , Dardiotis E. , Bowser R. , Menon V. , Harms M. , Atassi N. , Lange D. J. , MacGowan D. J. , McMillan C. , Aronica E. , Harris B. , Ravits J. , Crary J. , Thompson L. M. , Raj T. , Paganoni S. , Adams D. J. , Babu S. , Drory V. , Gotkine M. , Broce I. , Phillips-Cremins J. , Nath A. , Finkbeiner S. , Cox G. A. , Cortese Andrea , Cereda Cristina , Bugiardini Enrico , Cardani Rosanna , Meola Giovanni , Ripolone Michela , Moggio Maurizio , Romano Maurizio , Secrier Maria , Fratta Pietro , Buratti Emanuele
Published: April 2022

TDP-43 (TAR DNA-binding protein 43) aggregation and redistribution are recognised as a hallmark of amyotrophic lateral sclerosis and frontotemporal dementia. As TDP-43 inclusions have recently been described in the muscle of inclusion body myositis patients, this highlights the need to understand the role of TDP-43 beyond the central nervous system. Using RNA-seq, we directly compare TDP-43-mediated RNA processing in muscle (C2C12) and neuronal (NSC34) mouse cells. TDP-43 displays a cell-type-characteristic behaviour targeting unique transcripts in each cell-type, which is due to characteristic expression of RNA-binding proteins, that influence TDP-43’s performance and define cell-type specific splicing. Among splicing events commonly dysregulated in both cell lines, we identify some that are TDP-43-dependent also in human cells. Inclusion levels of these alternative exons are altered in tissues of patients suffering from FTLD and IBM. We therefore propose that TDP-43 dysfunction contributes to disease development either in a common or a tissue-specific manner.
Meta-validation of bipartite network projections
Authors: Cimini Giulio , Carra Alessandro , Didomenicantonio Luca , Zaccaria Andrea
Published: April 2022

Monopartite projections of bipartite networks are useful tools for modeling indirect interactions in complex systems. The standard approach to identify significant links is statistical validation using a suitable null network model, such as the popular configuration model (CM) that constrains node degrees and randomizes everything else. However different CM formulations exist, depending on how the constraints are imposed and for which sets of nodes. Here we systematically investigate the application of these formulations in validating the same network, showing that they lead to different results even when the same significance threshold is used. Instead a much better agreement is obtained for the same density of validated links. We thus propose a meta-validation approach that allows to identify model-specific significance thresholds for which the signal is strongest, and at the same time to obtain results independent of the way in which the null hypothesis is formulated. We illustrate this procedure using data on scientific production of world countries.
Ad hoc learning of peptide fragmentation from mass spectra enables an interpretable detection of phosphorylated and cross-linked peptides
Authors: Altenburg Tom , Giese Sven H. , Wang Shengbo , Muth Thilo , Renard Bernhard Y.
Published: April 2022

Mass spectrometry-based proteomics provides a holistic snapshot of the entire protein set of living cells on a molecular level. Currently, only a few deep learning approaches exist that involve peptide fragmentation spectra, which represent partial sequence information of proteins. Commonly, these approaches lack the ability to characterize less studied or even unknown patterns in spectra because of their use of explicit domain knowledge. Here, to elevate unrestricted learning from spectra, we introduce ‘ad hoc learning of fragmentation’ (AHLF), a deep learning model that is end-to-end trained on 19.2 million spectra from several phosphoproteomic datasets. AHLF is interpretable, and we show that peak-level feature importance values and pairwise interactions between peaks are in line with corresponding peptide fragments. We demonstrate our approach by detecting post-translational modifications, specifically protein phosphorylation based on only the fragmentation spectrum without a database search. AHLF increases the area under the receiver operating characteristic curve (AUC) by an average of 9.4% on recent phosphoproteomic data compared with the current state of the art on this task. Furthermore, use of AHLF in rescoring search results increases the number of phosphopeptide identifications by a margin of up to 15.1% at a constant false discovery rate. To show the broad applicability of AHLF, we use transfer learning to also detect cross-linked peptides, as used in protein structure analysis, with an AUC of up to 94%.
Multilayers for directed energy accelerated lightsails
Authors: Santi Giovanni , Favaro Giulio , Corso Alain J. , Lubin Philip , Bazzan Marco , Ragazzoni Roberto , Garoli Denis , Pelizzo Maria G.
Published: April 2022

A lightsail accelerated via directed energy is a candidate technology to send a probe into the deep space in a time period compatible with human life. The light emitted by a ground-based large-aperture phased laser array is directed onto the lightsail to produce a thrust by transferring the momentum of the incident photons. Here we demonstrate that optimized multilayer structures allow ultralight spacecraft being accelerated by laser radiation pressure up to 20% of the light velocity, and eventually even above, as long as a compromise between efficiency and weight is achieved. Layer materials are selected to provide high reflectance in the Doppler-shifted laser wavelength range as well as high emissivity in the infrared, this last characteristic being required to survive to the temperature increase during the acceleration phase.
Synthesis, characterisation and evaluation of hyperbranched N-(2-hydroxypropyl) methacrylamides for transport and delivery in pancreatic cell lines in vitro and in vivo
Authors: Anane-Adjei Akosua B. , Fletcher Nicholas L. , Cavanagh Robert J. , Houston Zachary H. , Crawford Theodore , Pearce Amanda K. , Taresco Vincenzo , Ritchie Alison A. , Clarke Phillip , Grabowska Anna M. , Gellert Paul R. , Ashford Marianne B. , Kellam Barrie , Thurecht Kristofer J. , Alexander Cameron
Published: April 2022

Hyperbranched polyHPMA materials penetrate deep into pancreatic cancer spheroids and a hyperbranched polymer-gemcitabine conjugate showed potency in vitro and in vivo.
Structural impact of thioamide incorporation into a β-hairpin
Authors: Fiore Kristen E. , Patist Martijn J. , Giannakoulias Sam , Huang Cheng-Hsin , Verma Hitesh , Khatri Bhavesh , Cheng Richard P. , Chatterjee Jayanta , Petersson E. James
Published: April 2022

NMR studies of macrocyclic β-hairpin model systems demonstrate that thioamides can be tolerated at both hydrogen bond donor and hydrogen bond acceptor positions.
Organosulphur and organoselenium compounds as emerging building blocks for catalytic systems forO-arylation of phenols, a C–O coupling reaction
Authors: Sharma Deepali , Arora Aayushi , Oswal Preeti , Bahuguna Anurag , Datta Anupama , Kumar Arun
Published: April 2022

Diaryl ethers form an important class of organic compounds.
Direct carbon capture for the production of high-performance biodegradable plastics by cyanobacterial cell factories
Authors: Tan Chunlin , Tao Fei , Xu Ping
Published: April 2022

The engineered cyanobacterial cell factory was used to produce biodegradable polylactic acid directly from CO2.
Synthesis and biological evaluation of FJ-809, a compound originally described as MIM1 and an inhibitor of the anti-apoptotic protein Mcl-1
Authors: Justaud Frédéric , Paysant Hippolyte , Weiswald Louis Bastien , Jebahi Abdelghani , Jouanne Marie , Elie Nicolas , Voisin-Chiret Anne Sophie , Roisnel Thierry , Orione Clément , Levoin Nicolas , Poulain Laurent , Grée René
Published: April 2022

The development of inhibitors of anti-apoptotic proteins, such as Mcl-1, is currently a very active area in the field of cancer research.
Strychnine and its mono- and dimeric analogues: a pharmaco-chemical perspective
Authors: Zlotos Darius P. , Mandour Yasmine M. , Jensen Anders A.
Published: April 2022

Since its isolation in 1818, strychnine has attracted the attention of chemists and pharmacologists. Here, we discuss structures, syntheses, metabolic transformations, and pharmacological actions of the alkaloid and its mono- and dimeric analogues.
Organically tuned white-light emission from two zero-dimensional Cd-based hybrids
Authors: Msalmi Rawia , Elleuch Slim , Hamdi Besma , Abd El-Fattah Wesam , Ben Hamadi Naoufel , Naïli Houcine
Published: April 2022

Under sub-gap excitation, the materials exhibit white light emission (WLE) that originates from the STE within CdBr4 and the organic phosphorescence (for CdACP) and fluorescence (for CdODA). Under excitation above the gap the WLE is purely organic.
White light tuning and temperature sensing of NaLu(WO4)2:Ln3+ up-converting phosphor
Authors: Wang Zhiyi , Jiang Li , Wang Dongmei , Cheng Jie , li Jingjing , Mei Yanhan , Hu Shanshan , Yang Jun
Published: April 2022

NaLu(WO4)2:Ln3+ phosphors prepared by hydrothermal method shows bright white light with CIE-x = 0.3299 and CIE-y = 0.3293 and excellent temperature sensing capability with a maximum value of sensitivity of 1.38% K−1 at 543 K.
Electrochemical conversion of CO2 to syngas with a stable H2/CO ratio in a wide potential range over ligand-engineered metal–organic frameworks
Authors: Cao Lin , Wu Xuefeng , Liu Yuanwei , Mao Fangxin , Shi Yingli , Li Jiayu , Zhu Minghui , Dai Sheng , Chen Aiping , Liu Peng Fei , Yang Hua Gui
Published: April 2022

Zn-BTC survived reconstruction with the possession of slightly reduced Zn2+ and carboxyl groups at negative potential, resulting in a steady H2/CO ratio (∼1 : 2) in a wide potential window (−0.96 to −1.96 V vs. RHE).
Electrostatic force-driven lattice water bridging to stabilize a partially charged indium MOF for efficient separation of C2H2/CO2 mixtures
Authors: Song Qinhui , Yang Yisi , Yuan Furong , Zhu Shiyuan , Wang Jiaqi , Xiang Shengchang , Zhang Zhangjing
Published: April 2022

Remaining charge on the indium sites of MOF FJU-118 has an electrostatic force on the –CC− bond of C2H2 molecules for the selective separation of C2H2/CO2 mixtures.
Hairpin-functionalized DNA tetrahedra for miRNA imaging in living cells via self-assembly to form dendrimers
Authors: Zhao Wenjing , Jiang Yao , Zhou Huimin , Zhang Shusheng
Published: April 2022

A DNA tetrahedron-based intramolecular catalytic hairpin self-assembly platform that uses fluorescence signals to image miRNAs in live cells for accurate tumor cell identification.
Preparation of a disposable electrochemiluminescence sensor chip based on an MXene-loaded ruthenium luminescent agent and its application in the detection of carcinoembryonic antigens
Authors: Luo Weiwei , Ye Zhuoxin , Ma Pinyi , Wu Qiong , Song Daqian
Published: April 2022

We developed a novel type of disposable ECL sensor chip for CEA detection in serum samples of healthy humans and cancer patients. The disposable ECL sensor chip has many advantages including convenience, rapid detection, low cost, and easy mass production.
A new approach based on CXCR4-targeted combination liposomes for the treatment of liver fibrosis
Authors: Ullah Aftab , Chen Gang , Yibang Zhang , Hussain Abid , Shafiq Muhammad , Raza Faisal , Liu Daojun , Wang Kaikai , Cao Jin , Qi Xueyong
Published: April 2022

We propose a chemokine receptor 4 (CXCR4)-targeted combination (CTC) liposomal therapy to treat carbon tetrachloride (CCl4)-induced liver fibrosis. CTC lipo reverses the liver fibrosis to normalization.
Activating oxygen deficient TiO2 in the visible region by Bi2MoO6 for CO2 photoreduction to methanol
Authors: Das Risov , Das Kousik , Churipard Sathyapal R. , Peter Sebastian C.
Published: April 2022

TiO2 was activated for visible light driven CO2 reduction in the presence of Bi2MoO6 as an electron donor. The introduction of oxygen vacancies enhanced the CO2 to methanol conversion.
Simple silver(i)-salt catalyzed selective hydroboration of isocyanates, pyridines, and quinolines
Authors: Pandey Vipin K. , Sahoo Sangita , Rit Arnab
Published: April 2022

AgSbF6 is developed as an efficient catalyst for the selective hydroboration of various unsaturated functionalities such as isocyanates, pyridines, and quinolines under ligand- and solvent-free mild conditions.
Surfactant-modified Zn nanosheets on carbon paper for electrochemical CO2 reduction to CO
Authors: Wang Wenyuan , He Xuhua , Zhang Kai , Yao Yagang
Published: April 2022

Hexadecyl trimethyl ammonium bromide favors CO2 surface diffusion and inhibits excessive proton accumulation on Zn electrodes.
Understanding hydrazine oxidation electrocatalysis on undoped carbon
Authors: Burshtein Tomer Y. , Tamakuwala Kesha , Sananis Matan , Grinberg Ilya , Samala Nagaprasad Reddy , Eisenberg David
Published: April 2022

The catalytic role of the most abundant component in Fe–N–C electrocatalysts – the carbon matrix – is investigated towards the hydrazine oxidation reaction in alkaline media, revealing the central role of edge defects in the activity.
The solution structures and relative stability constants of lanthanide–EDTA complexes predicted from computation
Authors: O’Brien Ravi D. , Summers Thomas J. , Kaliakin Danil S. , Cantu David C.
Published: April 2022

The relative binding energies of lanthanide–EDTA complexes, at varying solution pH, were predicted from electronic structure calculations using the solution structures of Ln–EDTA complexes resolved withab initiomolecular dynamics simulations.
Rare examples of hybrid chalcogenoarsenate(iii) incorporating trivalent vanadium complexes
Authors: Duan Shuping , Xu Ya , Zhou Jian , Xiao Zunhong , Zou Hua-Hong
Published: April 2022

A series of hybrid chalcogenoarsenate(iii) incorporating trivalent vanadium complexes have been solvothermally synthesized, and the vanadium selenidoarsenates(iii) are good potentially photoelectrically active materials.
Molecular ruby: exploring the excited state landscape
Authors: Kitzmann Winald Robert , Ramanan Charusheela , Naumann Robert , Heinze Katja
Published: April 2022

Gorgeous view: we describe our current understanding of the rich excited state landscape of the highly luminescent molecular ruby. Experimental and theoretical results are put into perspective to uncover the secrets of this intriguing luminophore.
Unusual symmetry breaking in high-temperature enantiomeric ferroelectrics with large spontaneous polarization
Authors: Li Yu-Kong , Ying Ting-Ting , Zhang Hao , Tan Yu-Hui , Tang Yun-Zhi , Wang Fang-Xin , Wan Ming-Yang
Published: April 2022

The enantiomers [(R)-β-MPA]2CdCl4 (1) and [(S)-β-MPA]2CdCl4 (2) have similar ferroelectricity and related properties, including high Curie temperature (343 K), large spontaneous polarization (4.65 μC cm−2), and low coercive force field (13 kV cm−1).
Toward asymmetric aziridination with an iron complex supported by a D2-symmetric tetra-NHC
Authors: Blatchford Kevin M. , Mize Carson J. , Roy Sharani , Jenkins David M.
Published: April 2022

A macrocyclic C2-symmetric tetra-NHC iron(ii) complex was synthesized and tested for asymmetric aziridination between aryl azides and alkenes.
Aerosol optical properties and brown carbon in Mexico City
Authors: Retama Armando , Ramos-Cerón Mariana , Rivera-Hernández Olivia , Allen George , Velasco Erik
Published: April 2022

65–74% of light extinction is due to light scattering in Mexico City. Organic aerosols dominate both submicron mass loading and light scattering. Brown carbon and black carbon contribute 22% and 78% to the total light absorption, respectively. Road traffic and regional wildfires are the main contributors to light absorption. The aerosols' optical properties exhibit distinctive diurnal and seasonal patterns.
Resolving the backbone tilt of crystalline poly(3-hexylthiophene) with resonant tender X-ray diffraction
Authors: Freychet Guillaume , Chantler Paul , Huang Yuxuan , Tan Wen Liang , Zhernenkov Mikhail , Nayak Nagaraj , Kumar Anil , Gilhooly-Finn Peter A. , Nielsen Christian B. , Thomsen Lars , Roychoudhury Subhayan , Sirringhaus Henning , Prendergast David , McNeill Christopher R.
Published: April 2022

Exploiting the interaction between polarized tender X-rays and the planar conjugated backbone, resonant tender X-ray diffraction is able to resolve the tilting of the backbone within the unit cell.
Transition metal-free advanced synthetic approaches for isoindolinones and their fused analogues
Authors: Samanta Shubhankar , Ali Sk Asraf , Bera Anirban , Giri Soumen , Samanta Khokan
Published: April 2022

The transition metal-free synthetic protocols of isoindolinone and its fused analogues are highlighted in this review since 2007 to 2021.
Reconsidering terms for mechanisms of polymer growth: the “step-growth” and “chain-growth” dilemma
Authors: Chan Chin Han , Chen Jiun-Tai , Farrell Wesley S. , Fellows Christopher M. , Keddie Daniel J. , Luscombe Christine K. , Matson John B. , Merna Jan , Moad Graeme , Russell Gregory T. , Théato Patrick , Topham Paul D. , Sosa Vargas Lydia
Published: April 2022

Terms used for mechanisms of polymer growth are varied and problematic; we detail here our concerns with the terms “step-growth” and “chain-growth.” Ultimately, we seek terms that are simple, accurate, and attractive to the polymer community.
A tricolor-switchable stimuli-responsive luminescent binuclear Cu(i) complex with switchable NH⋯O interactions
Authors: Ju Peng , Huang Qin , Zhang Rui , Chen Jing-Lin , Zhao Feng , Liu Sui-Jun , Wen He-Rui
Published: April 2022

Blue-green-yellow tricolor luminescence conversion is attributed to the loss and recovery of CH2Cl2 solvent molecules and the destruction and restoration of the orderly packing array caused by the breaking and rebuilding of NH⋯O hydrogen bonds.
Mesoporogen-free synthesis of single-crystalline hierarchical beta zeolites for efficient catalytic reactions
Authors: Wang Yuyao , Li Junyan , Tong Weiyi , Shen Zhenhao , Li Lin , Zhang Qiang , Yu Jihong
Published: April 2022

Single-crystalline hierarchical Beta zeolites were synthesized by the l-lysine-assisted kinetic regulation method, exhibiting improved catalytic performance in both gas- and liquid-phase reactions.
Crystalline phase induced Raman enhancement on molybdenum carbides
Authors: Chen Mengxin , Song Chuqiao , Liang Ce , Zhang Bin , Sun Yanchun , Li Siwei , Lin Lili , Xu Ping
Published: April 2022

β-Mo2C, with a lower electron work function and a higher density of states near the Fermi level than α-MoC, affords a facilitated charge transfer and stronger Raman enhancement.
Emerging cold plasma treatment and machine learning prospects for seed priming: a step towards sustainable food production
Authors: Shelar Amruta , Singh Ajay Vikram , Dietrich Paul , Maharjan Romi Singh , Thissen Andreas , Didwal Pravin N. , Shinde Manish , Laux Peter , Luch Andreas , Mathe Vikas , Jahnke Timotheus , Chaskar Manohar , Patil Rajendra
Published: April 2022

The perspective of machine learning for modeling plasma treatment parameters in agriculture for the development of synergistic protocols for different types of seed priming.
The Reformatsky analogous reaction for the synthesis of novel β-thioxoestersviausing aroyl isothiocyanates under solvent-free ball milling and conventional conditions
Authors: Farag Paula S. , Hemdan Magdy M. , Hassaballah Aya I.
Published: April 2022

The Reformatsky analogous reaction between aroyl isothiocyanates and α-haloesters using metallic zinc to form β-thioxoestersviaball milling and conventional techniques.
Preparation of epoxy/ZrO2 composite coating on the Q235 surface by electrostatic spraying and its corrosion resistance in 3.5% NaCl solution
Authors: Wu Jipeng , Ji Guojun , Wu Qiang
Published: April 2022

Epoxy/ZrO2 composite coating was prepared by electrostatic spraying. The best corrosion resistance in 3.5% NaCl solution was observed using 2 wt% ZrO2.
Three-dimensional reduced graphene oxide decorated with cobalt metaphosphate as high cost-efficiency electrocatalysts for the hydrogen evolution reaction
Authors: Tang Zijie , Wei Shenqi , Wang Yuanyuan , Dai Liyi
Published: April 2022

The development of cost-effective non-noble metal electrocatalysts is critical for the research of renewable energy.
Detection of multi-reference character imbalances enables a transfer learning approach for virtual high throughput screening with coupled cluster accuracy at DFT cost
Authors: Duan Chenru , Chu Daniel B. K. , Nandy Aditya , Kulik Heather J.
Published: April 2022

We demonstrate that cancellation in multi-reference effect outweighs accumulation in evaluating chemical properties. We combine transfer learning and uncertainty quantification for accelerated data acquisition with chemical accuracy.
An unprecedented azobenzene-based organic single-component ferroelectric
Authors: Peng Hang , Qi Jun-Chao , Song Xian-Jiang , Xiong Ren-Gen , Liao Wei-Qiang
Published: April 2022

The first azobenzene-based organic single-component ferroelectric 2-amino-2′,4,4′,6,6′-pentafluoroazobenzene was designed, which shows an exceptionally high Curie temperature (Tc) of 443 K.
Highly selective detection of ethanol in biological fluids and alcoholic drinks using indium ethylenediamine functionalized graphene
Authors: Boroujerdi Ramin , Abdelkader Amor , Paul Richard
Published: April 2022

The developed electrochemical sensor can detect trace amounts of ethanol in various authentic samples such as urine and beverages using cyclic voltammetry.
Comparing two cortisol aptamers for label-free fluorescent and colorimetric biosensors
Authors: Niu Chenqi , Ding Yuzhe , Zhang Chong , Liu Juewen
Published: April 2022

A comparison between two truncated DNA aptamers reported to bind with cortisol was performed and binding was observed only for one of them. Two label-free sensing methods were studied including cortisol/gold nanoparticle interactions critical for colorimetric sensing.
Sulfonic acid covalently grafted halloysite nanotubes for highly efficient synthesis of biofuel 5-ethoxymethylfurfural
Authors: Xiang Yanping , Zhao Kangyu , Zhou Shuolin , Zhao Wenguang , Zeng Zhijuan , Zhu Xiaoting , Liu Xianxiang
Published: April 2022

The sulfonic acid grafted halloysite nanotubes (HNTs-SO3H) exhibited excellent catalytic activity in the synthesis of biofuel 5-ethoxymethylfurfural from biomass-derived 5-hydroxymethylfurfural.
Impact of collagen-like peptide (CLP) heterotrimeric triple helix design on helical thermal stability and hierarchical assembly: a coarse-grained molecular dynamics simulation study
Authors: Taylor Phillip A. , Kloxin April M. , Jayaraman Arthi
Published: April 2022

Collagen-like peptide heterotrimers are computationally designed to create thermally stable triple helices and self-assembled fibrillar aggregates and percolated networks, multifunctional materials of interest to the biomaterials community.
Binding of anisotropic curvature-inducing proteins onto membrane tubes
Authors: Noguchi Hiroshi , Tozzi Caterina , Arroyo Marino
Published: April 2022

We studied how anisotropic proteins are orientationally ordered and change the radius of membrane tubes using mean-field theory with an orientation-dependent excluded volume interaction.
A novel molecular synthesis route to Li2S loaded carbon fibers for lithium–sulfur batteries
Authors: Brune Veronika , Bohr Christoph , Ludwig Tim , Wilhelm Michael , Hirt Sebastian Daniel , Fischer Thomas , Wennig Sebastian , Oberschachtsiek Bernd , Ichangi Arun , Mathur Sanjay
Published: April 2022

A novel simple synthetic pathway to a carbon-coated Li2S material from a single molecular source for battery application using electrospinning methods is presented.
Rationalising the multivariate modulation of MUV-10 for the defect-introduction of multiple functionalised modulators
Authors: Lázaro Isabel Abánades
Published: April 2022

Multivariate modulated MOFs allow introducing multiple functionalised units into the MOFs as defect-compensating ligands promoting porosity among other defect-related properties while tuning the pore environment for enhanced applications.
Spatially separated catalytic sites supplied with the CdS–MoS2–In2O3 ternary dumbbell S-scheme heterojunction for enhanced photocatalytic hydrogen production
Authors: Zhang Lijun , Jiang Xudong , Jin Zhiliang , Tsubaki Noritatsu
Published: April 2022

In2O3 hollow hexagonal prisms are combined with CdS–MoS2 dumbbell electrostatic self-assembly to weaken the surface oxidation kinetics. MoS2 promotes the CdS–In2O3 S-scheme heterojunction photocatalyst to show significant photocatalytic performance.
Regulation of the shell thickness and shell components in PtCu/PdCu core–shell tripods for ethylene glycol and glycerol oxidation reactions
Authors: Pu Houkang , Dong Kaiyu , Zhang Te , Dai Huizhen , Wang Yingying , Deng Yujia
Published: April 2022

PtCu/PdCu core–shell tripods with adjustable shell thickness and components were synthesized via seed-mediated and galvanic replacement strategy. This study provides an effective strategy for the design of multicomponent core–shell catalysts.
Reaction site exchange in hierarchical bimetallic Mn/Ni catalysts triggered by the electron pump effect to boost urea electrocatalytic oxidation
Authors: Song Yajun , Ji Zhijiao , Zhao Shenghao , Wang Tianqi , Liu Jia , Hu Wenping
Published: April 2022

Hierarchical bimetallic Mn/Ni catalysts were synthesized. Based on the electron pump effect of Ni, the real reaction sites in the composite were successfully changed from Ni to Mn, which exhibited outstanding electrocatalytic performance for the UOR.
Co-exchanged montmorillonite: a potential antibacterial agent with good antibacterial activity and cytocompatibility
Authors: Yang Shun , Ji Yingqi , Deng Fanyan , Sun Xiaojiang , Ning Congqin
Published: April 2022

Co-exchange endows montmorillonite with good antibacterial activity and bacterial adsorption capacity without changing its cytocompatibility.
Lopsided galactic disks in IllustrisTNG
Authors: Łokas Ewa L.
Published: April 2022

A significant fraction of nearby late-type galaxies are lopsided. We study the asymmetry of the stellar component in a sample of well-resolved disky galaxies selected from the last snapshot of the Illustris TNG100 simulation based on their flatness and rotational support. Among 1912 disks, we identify 161 objects with significant asymmetry in terms of them = 1 Fourier mode of the stellar component within (1−2) stellar half-mass radii and describe their properties using three representative examples. The profiles of them = 1 mode typically increase with radius, and the corresponding phase is constant in the asymmetric region, signifying a global distortion. Following the evolution of the lopsided disks over time, we find that their history is rather uneventful and the occurrence of the asymmetry is fairly recent. Only about 1/3 of the lopsided disks experienced any strong interaction recently that could have led to the distortion of their shape: 24% were affected by a more massive object and 9% underwent a gas-rich merger. Still, a majority of lopsided disks show a significant increase in their recent star formation rate. The most frequent mechanism for the formation of lopsided disks thus seems to be asymmetric star formation probably related to gas accretion, although the distortions in the gas and stars are not strongly correlated. This picture is supported by the finding that the lopsided population on average contains more gas, has higher star formation rate, lower metallicity and bluer color than the remaining disks. These correlations are similar to those seen in real galaxies, even though the fraction of simulated lopsided disks (8%) is much lower than in observations (30%). The observed correlation between the presence of the asymmetry and a bar is not reproduced either. These discrepancies may be due to overquenching or insufficient resolution of IllustrisTNG simulations.