bluuebunny/crossref_metadata_2025 huggingface dataset:
A web-based genome-wide association study reveals the susceptibility loci of common adverse events following COVID-19 vaccination in the Japanese population
Authors: Nogawa Shun , Kanamori Hajime , Tokuda Koichi , Kawafune Kaoru , Chijiiwa Miyuki , Saito Kenji , Takahashi Shoko
Published: November 2023

The coronavirus disease 2019 (COVID-19) pandemic has spread rapidly worldwide. To prevent its spread, mRNA-based vaccines made by Pfizer/BioNTech (BNT162b1) and Moderna (mRNA-1273) have been widely used, including in Japan. Various adverse events have been reported following the COVID-19 mRNA vaccination, with differences observed among individuals. However, analyses of the genetic background associated with the susceptibility to side effects have been limited. In the present study, we performed genome-wide association studies (GWAS) for self-reported adverse events of the COVID-19 mRNA vaccination in 4545 Japanese individuals and identified 14 associated loci. Among these, 6p21 was associated with 37.5 °C or higher fever, 38 °C or higher fever, and muscle pain. HLA allele association analysis revealed that various HLA alleles were associated with the adverse effects; HLA-DQA1*03:01 and HLA-A*11:01 were more reliably associated with the adverse effects. Our results may enable the preparation and management of adverse effects by identifying the susceptibility to these adverse events. Furthermore, we obtained valuable data that may lead to a better understanding of the mechanisms of action of the COVID-19 mRNA vaccines.
The role of multimodal cues in second language comprehension
Authors: Zhang Ye , Ding Rong , Frassinelli Diego , Tuomainen Jyrki , Klavinskis-Whiting Sebastian , Vigliocco Gabriella
Published: November 2023

In face-to-face communication, multimodal cues such as prosody, gestures, and mouth movements can play a crucial role in language processing. While several studies have addressed how these cues contribute to native (L1) language processing, their impact on non-native (L2) comprehension is largely unknown. Comprehension of naturalistic language by L2 comprehenders may be supported by the presence of (at least some) multimodal cues, as these provide correlated and convergent information that may aid linguistic processing. However, it is also the case that multimodal cues may be less used by L2 comprehenders because linguistic processing is more demanding than for L1 comprehenders, leaving more limited resources for the processing of multimodal cues. In this study, we investigated how L2 comprehenders use multimodal cues in naturalistic stimuli (while participants watched videos of a speaker), as measured by electrophysiological responses (N400) to words, and whether there are differences between L1 and L2 comprehenders. We found that prosody, gestures, and informative mouth movements each reduced the N400 in L2, indexing easier comprehension. Nevertheless, L2 participants showed weaker effects for each cue compared to L1 comprehenders, with the exception of meaningful gestures and informative mouth movements. These results show that L2 comprehenders focus on specific multimodal cues – meaningful gestures that support meaningful interpretation and mouth movements that enhance the acoustic signal – while using multimodal cues to a lesser extent than L1 comprehenders overall.
Gut microbial signatures are associated with Lynch syndrome (LS) and cancer history in Druze communities in Israel
Authors: Naddaf Rawi , Carasso Shaqed , Reznick-Levi Gili , Hasnis Erez , Qarawani Amalfi , Maza Itay , Gefen Tal , Half Elizabeth Emily , Geva-Zatorsky Naama
Published: November 2023

Lynch syndrome (LS) is a hereditary cancer syndrome caused by autosomal dominant mutations, with high probability of early onset for several cancers, mainly colorectal cancer (CRC). The gut microbiome was shown to be influenced by host genetics and to be altered during cancer development. Therefore, we aimed to determine alterations in gut microbiome compositions of LS patients with and without cancer. We performed fecal microbiome analyses on samples of LS and non-LS members from the Druze ethnoreligious community in Israel, based on both their LS mutation and their cancer history. Our analysis revealed specific bacterial operational taxonomic units (OTUs) overrepresented in LS individuals as well as bacterial OTUs differentiating between the LS individuals with a history of cancer. The identified OTUs align with previous studies either correlating them to pro-inflammatory functions, which can predispose to cancer, or to the cancer itself, and as such, these bacteria can be considered as future therapeutic targets.
Food co-consumption network as a new approach to dietary pattern in non-alcoholic fatty liver disease
Authors: Naghizadeh Mohammad Mehdi , Osati Saeed , Homayounfar Reza , Masoudi-Nejad Ali
Published: November 2023

Dietary patterns strongly correlate with non-alcoholic fatty liver disease (NAFLD), which is a leading cause of chronic liver disease in developed societies. In this study, we introduce a new definition, the co-consumption network (CCN), which depicts the common consumption patterns of food groups through network analysis. We then examine the relationship between dietary patterns and NAFLD by analyzing this network. We selected 1500 individuals living in Tehran, Iran, cross-sectionally. They completed a food frequency questionnaire and underwent scanning via the FibroScan for liver stiffness, using the CAP score. The food items were categorized into 40 food groups. We reconstructed the CCN using the Spearman correlation-based connection. We then created healthy and unhealthy clusters using the label propagation algorithm. Participants were assigned to two clusters using the hypergeometric distribution. Finally, we classified participants into two healthy NAFLD networks, and reconstructed the gender and disease differential CCNs. We found that the sweet food group was the hub of the proposed CCN, with the largest cliques of size 5 associated with the unhealthy cluster. The unhealthy module members had a significantly higher CAP score (253.7 ± 47.8) compared to the healthy module members (218.0 ± 46.4) (P < 0.001). The disease differential CCN showed that in the case of NAFLD, processed meat had been co-consumed with mayonnaise and soft drinks, in contrast to the healthy participants, who had co-consumed fruits with green leafy and yellow vegetables. The CCN is a powerful method for presenting food groups, their consumption quantity, and their interactions efficiently. Moreover, it facilitates the examination of the relationship between dietary patterns and NAFLD.
Prognostic significance of high NPC2 expression in gastric cancer
Authors: Yao Yunzhuang , Ren Jinnan , Lu Junhui , Sui Yue , Gong Jingwen , Chen Xing
Published: November 2023

Gastric cancer is one of the most common malignancies worldwide, and the third leading cause of cancer-related death. The identification of novel biomarkers and therapeutic targets is critical to improve the prognosis. A total of 380 patients with primary gastric cancer from the TCGA database were analyzed. The receiver operating characteristic curves were plotted. We further evaluated the independent prognostic ability of NPC2 expression for overall survival (OS) and relapse-free survival (RFS) through the Kaplan–Meier curve and Cox analysis. The NPC2 expression was significantly higher (P < 0.001) in gastric cancer. High NPC2 expression was significantly (P < 0.0001) associated with poor OS and poor RFS. The age, stage, radiation therapy, residual tumor, and NPC2 expression showed independent prognostic value for OS. The gender and NPC2 expression showed independent prognostic value for RFS. The higher NPC2 expression was observed in gastric cancer, compared with adjacent normal tissue (P < 0.001), confirmed by the IHC staining. The CCK-8 assay showed that NPC2 knockdown inhibits cell proliferation while NPC2 overexpression promotes cell proliferation (P < 0.05). NPC2 expression may serve as a promising prognostic biomarker for patients with gastric cancer.
Analysis on the geographical pattern and driving force of traditional villages based on GIS and Geodetector: a case study of Guizhou, China
Authors: Wu Kehua , Su Weici , Ye Shi’an , Li Wei , Cao Yang , Jia Zhenzhen
Published: November 2023

Traditional villages have received widespread attention from all walks of life based on important carriers of Chinese rural culture. The mutual superposition of natural and cultural factors may exacerbate the evolution of traditional village geographical patterns. To understand such relationships and effects, factors and degrees influencing traditional villages need to be determined. Here, we analysed the data of 724 traditional villages in Guizhou recognised by relevant national ministries and commissions in China using average nearest neighbour analysis, Tyson polygon analysis, nuclear density analysis and Geodector. The geographic pattern feature revealed that traditional villages, in general, are highly clustered regionally and have significant edge effects on administrative units. Different substrate environments result in significant spatial heterogeneity in village spatial density, clustering, surface undulation, sun exposure, and waterfront. The geographic pattern of traditional villages is mostly affected by the closest distance to river valleys, the types and number of intangible cultural heritage resources in the county, river gorge density, edge effect index, degree of county ethnic language use, and proportion of paddy fields to the regional area; and their combined effects influence and control the community structure. The results highlight the impact of nature and culture on the distribution of traditional villages, which helps traditional village conservation and scientific exploration of human-land relationship issues in the mountainous areas of Southwest China.
Male Pagurus minutus hermit crabs use multiple types of information in decisions to give up male–male contests
Authors: Yasuda Chiaki I. , Koga Tsunenori
Published: November 2023

Organisms use information to make adaptive decisions in various contexts, including aggression. Potentially weaker, but better-informed, contestants should give up earlier to reduce fighting costs by using information related to their own lower success such as their size relative to their opponent and past contest outcomes to make this choice. Here, we examined whether intruders of the hermit crabPagurus minutuscould use information about their (1) smaller size, (2) past contest defeats, (3) opponent’s past wins, or (4) relationship in the dominance hierarchy to their opponent when making a decision to give up during male–male contests for a female. In all trials, we randomly matched a smaller intruder with a larger opponent that was guarding a female. Our analyses suggest thatP. minutusintruders can use all four types of information to decide whether to give up a contest without escalation or decrease its duration after escalation; it is the first species ofPagurusreported to do so, and the second reported to be able to distinguish familiar opponents from others in the context of male–male contests. These findings demonstrate the importance of cognitive abilities in minimizing costs when competing for vital resources.
Towards reliable IoT communication and robust security: investigating trusted schemes in the internet of medical things using blockchain
Authors: Rathee Geetanjali , Maheswar Rajagopal , Sehar Sountharrajan , Bavirisetti Durga Prasad
Published: November 2023

The Internet of Things (IoT) is evolving in various sectors such as industries, healthcare, smart homes, and societies. Billions and trillions of IoT devices are used in e-health systems, known as the Internet of Medical Things (IoMT), to improve communication processes in the network. Scientists and researchers have proposed various methods and schemes to ensure automatic monitoring, communication, diagnosis, and even operating on patients at a distance. Several researchers have proposed security schemes and approaches to identify the legitimacy of intelligent systems involved in maintaining records in the network. However, existing schemes have their own performance issues, including delay, storage efficiency, costs, and others. This paper proposes trusted schemes that combine mean and subjective logic aggregation methods to compute the trust of each communicating device in the network. Additionally, the network maintains a blockchain of legitimate devices to oversee the trusted devices in the network. The proposed mechanism is further verified and analyzed using various security metrics, such as reliability, trust, delay, beliefs, and disbeliefs, in comparison to existing schemes.
Fast track to stroke unit for patients not eligible for acute intervention, a case–control register study on 1066 patients
Authors: Wennman Ingela , Wijk Helle , Jood Katarina , Carlström Eric , Fridlund Bengt , Alsholm Linda , Herlitz Johan , Hansson Per-Olof
Published: November 2023

Stroke patients not eligible for acute intervention often have low priority and may spend long time at the emergency department (ED) waiting for admission. The aim of this retrospective case–control register study was to evaluate outcomes for such “low priority” stroke patients who were transported via Fast Track directly to the stroke unit, according to pre-specified criteria by emergency medical service (EMS). The outcomes of Fast Track patients, transported directly to stroke unit (cases) were compared with the outcomes of patients who fulfilled these critera for Fast Track, but instead were transported to the ED (controls). In all, 557 cases and 509 controls were identified. The latter spent a mean time of 237 min in the ED before admission. The 90-day mortality rate was 12.9% for cases and 14.7% for controls (n.s.). None of the secondary outcome events differed significantly between the groups: 28-day mortality rate; death rate during hospitalisation; proportion of pneumonias, falls or pressure ulcers; or health-related outcomes according to the EQ-5D-5L questionnaire. These findings indicates that the Fast Track to the stroke unit by an EMS is safe for selected stroke patients and could avoid non-valuable time in the ED.
The characteristic analysis of phase-controlled array thermo-acoustic emission with multiple emitting surfaces
Authors: Zhang Kai , Wang Dongdong , Zhou Jiayi , Su Yulei , Ding Huaikuang , Hu Hanping , Han Yuanzhao
Published: November 2023

Thermo-acoustic (TA) ultrasound, particularly when combined with phased-controlled array technology, has garnered significant interest in the past decade due to its numerous advantages. This paper establishes a theoretical expression for thermo-acoustic phased array (TAPA) emission to investigate different acoustic fields based on input heat flow frequencies, quantities and distances of TA emission surfaces, area of emission surfaces, and phase changes between emission surfaces. The study finds that a TAPA with two emitting surfaces in a line pattern produces a consistent acoustic field compared to a single emitting surface arranged in a semicircle. Additionally, applying different phases on the surfaces narrows the scanning range with an increase in frequency, area of the TA emission surface, and the amount of emission surfaces, while enhancing the directivity of the TA wave. Moreover, increasing the distance between emitting surfaces in a square-shaped TAPA does not affect the ultrasound pressure of the main TA ultrasound but increases the quantity and size of side lobes. Furthermore, enlarging the area of emitting surfaces enhances the directivity of the TA ultrasound, necessitating a reduction in the distance between emitting surfaces or an increase in the area of the emitting surfaces in a square-shaped TAPA to enhance directivity. This paper provides a comprehensive study of TAPA to aid further research in this field.
Toward steering the motion of surface rolling molecular machines by straining graphene substrate
Authors: Vaezi Mehran , Nejat Pishkenari Hossein
Published: November 2023

The surface rolling molecular machines are proposed to perform tasks and carrying molecular payloads on the substrates. As a result, controlling the surface motion of these molecular machines is of interest for the design of nano-transportation systems. In this study, we evaluate the motion of the nanocar on the graphene nanoribbons with strain gradient, through the molecular dynamics (MD) simulations, and theoretical relations. The nanocar indicates directed motion from the maximum strained part of the graphene to the unstrained end of the substrate. The strain gradient induced driving force and diffusion coefficients of nanocars are analyzed from the simulation and theoretical points of view. To obtain the optimum directed motion of nanocar, we consider the effects of temperature, strain average, and magnitude of strain gradient on the directionality of the motion. Moreover, the mechanism of the motion of nanocar is studied by evaluating the direction of the nanocar’s chassis and the rotation of wheels around the axles. Ultimately, the programmable motion of nanocar is shown by adjusting the strain gradient of graphene substrate.
Modeling walking accessibility to urban parks using Google Maps crowdsourcing database in the high-density urban environments of Hong Kong
Authors: Gong Fang-Ying
Published: November 2023

Accessing urban parks is important for promoting physical activities and improving public health. In this study, we propose the use of Google Maps crowdsourcing data and the incorporation of park attractiveness to model urban park accessibility in the complex urban environments of Hong Kong. The difference between using geometric and route distance, the effect of park attractiveness in measuring accessibility, and the benefits gained from using walk time compared to distance are investigated. Our result shows that (1) route and geometric distances have a strong correlation with a conversion factor of about 1.5; (2) the common assumption that park size can be a proxy for describing attractiveness may not be correct. Instead, park attractiveness should be explicitly considered for a more effective accessibility modeling; and (3) estimation by walking time shows that there are non-negligible impacts from street conditions and traffic on urban park accessibility. Moreover, district hotspots short of park accessibility or attractiveness can be explicitly detected. Overall, this developed approach provides a flexible and informative approach to model the accessibility to urban parks. The outputs will help city planners, health professionals, and policymakers to evaluate and improve urban park planning and equity in accessibility in high-density cities.
Evaluating 17 methods incorporating biological function with GWAS summary statistics to accelerate discovery demonstrates a tradeoff between high sensitivity and high positive predictive value
Authors: Moore Amy , Marks Jesse A. , Quach Bryan C. , Guo Yuelong , Bierut Laura J. , Gaddis Nathan C. , Hancock Dana B. , Page Grier P. , Johnson Eric O.
Published: November 2023

Where sufficiently large genome-wide association study (GWAS) samples are not currently available or feasible, methods that leverage increasing knowledge of the biological function of variants may illuminate discoveries without increasing sample size. We comprehensively evaluated 17 functional weighting methods for identifying novel associations. We assessed the performance of these methods using published results from multiple GWAS waves across each of five complex traits. Although no method achieved both high sensitivity and positive predictive value (PPV) for any trait, a subset of methods utilizing pleiotropy and expression quantitative trait loci nominated variants with high PPV (>75%) for multiple traits. Application of functionally weighting methods to enhance GWAS power for locus discovery is unlikely to circumvent the need for larger sample sizes in truly underpowered GWAS, but these results suggest that applying functional weighting to GWAS can accurately nominate additional novel loci from available samples for follow-up studies.
The Rauvolfia tetraphylla genome suggests multiple distinct biosynthetic routes for yohimbane monoterpene indole alkaloids
Authors: Stander Emily Amor , Lehka Beata , Carqueijeiro Inês , Cuello Clément , Hansson Frederik G. , Jansen Hans J. , Dugé De Bernonville Thomas , Birer Williams Caroline , Vergès Valentin , Lezin Enzo , Lorensen Marcus Daniel Brandbjerg Bohn , Dang Thu-Thuy , Oudin Audrey , Lanoue Arnaud , Durand Mickael , Giglioli-Guivarc’h Nathalie , Janfelt Christian , Papon Nicolas , Dirks Ron P. , O’connor Sarah Ellen , Jensen Michael Krogh , Besseau Sébastien , Courdavault Vincent
Published: November 2023

Monoterpene indole alkaloids (MIAs) are a structurally diverse family of specialized metabolites mainly produced in Gentianales to cope with environmental challenges. Due to their pharmacological properties, the biosynthetic modalities of several MIA types have been elucidated but not that of the yohimbanes. Here, we combine metabolomics, proteomics, transcriptomics and genome sequencing of Rauvolfia tetraphylla with machine learning to discover the unexpected multiple actors of this natural product synthesis. We identify a medium chain dehydrogenase/reductase (MDR) that produces a mixture of four diastereomers of yohimbanes including the well-known yohimbine and rauwolscine. In addition to this multifunctional yohimbane synthase (YOS), an MDR synthesizing mainly heteroyohimbanes and the short chain dehydrogenase vitrosamine synthase also display a yohimbane synthase side activity. Lastly, we establish that the combination of geissoschizine synthase with at least three other MDRs also produces a yohimbane mixture thus shedding light on the complex mechanisms evolved for the synthesis of these plant bioactives.
Combined NMR and molecular dynamics conformational filter identifies unambiguously dynamic ensembles of Dengue protease NS2B/NS3pro
Authors: Agback Tatiana , Lesovoy Dmitry , Han Xiao , Lomzov Alexander , Sun Renhua , Sandalova Tatyana , Orekhov Vladislav Yu. , Achour Adnane , Agback Peter
Published: November 2023

The dengue protease NS2B/NS3pro has been reported to adopt either an ‘open’ or a ‘closed’ conformation. We have developed a conformational filter that combines NMR with MD simulations to identify conformational ensembles that dominate in solution. Experimental values derived from relaxation parameters for the backbone and methyl side chains were compared with the corresponding back-calculated relaxation parameters of different conformational ensembles obtained from free MD simulations. Our results demonstrate a high prevalence for the ‘closed’ conformational ensemble while the ‘open’ conformation is absent, indicating that the latter conformation is most probably due to crystal contacts. Conversely, conformational ensembles in which the positioning of the co-factor NS2B results in a ‘partially’ open conformation, previously described in both MD simulations and X-ray studies, were identified by our conformational filter. Altogether, we believe that our approach allows for unambiguous identification of true conformational ensembles, an essential step for reliable drug discovery.
Prebiotic chemical origin of biomolecular complementarity
Authors: Sajeev Y.
Published: November 2023

The early Earth, devoid of the protective stratospheric ozone layer, must have sustained an ambient prebiotic physicochemical medium intensified by the co-existence of shortwave UV photons and very low energy electrons (vLEEs). Consequently, only intrinsically stable molecules against these two co-existing molecular destructors must have proliferated and thereby chemically evolved into the advanced molecules of life. Based on this view, we examined the stability inherent in nucleobases and their complementary pairs as resistance to the molecular damaging effects of shortwave UV photons and vLEEs. This leads to the conclusion that nucleobases could only proliferated as their complementary pairs under the unfavorable prebiotic conditions on early Earth. The complementary base pairing not only enhances but consolidates the intrinsic stability of nucleobases against short-range UV photons, vLEEs, and possibly many as-yet-unknown deleterious agents co-existed in the prebiotic conditions of the early Earth. In short, complementary base pairing is a manifestation of chemical evolution in the unfavorable prebiotic medium created by the absence of the stratospheric ozone layer.
Greening of human-dominated ecosystems in India
Authors: Park Taejin , Gumma Murali K. , Wang Weile , Panjala Pranay , Dubey Sunil K. , Nemani Ramakrishna R.
Published: November 2023

Satellite data show the Earth has been greening and identify croplands in India as one of the most prominent greening hotspots. Though India’s agriculture has been dependent on irrigation enhancement to reduce crop water stress and increase production, the spatiotemporal dynamics of how irrigation influenced the satellite observed greenness remains unclear. Here, we use satellite-derived leaf area data and survey-based agricultural statistics together with results from state-of-the-art Land Surface Models (LSM) to investigate the role of irrigation in the greening of India’s croplands. We find that satellite observations provide multiple lines of evidence showing strong contributions of irrigation to significant greening during dry season and in drier environments. The national statistics support irrigation-driven yield enhancement and increased dry season cropping intensity. These suggest a continuous shift in India’s agriculture toward an irrigation-driven dry season cropping system and confirm the importance of land management in the greening phenomenon. However, the LSMs identify CO2 fertilization as a primary driver of greening whereas land use and management have marginal impacts on the simulated leaf area changes. This finding urges a closer collaboration of the modeling, Earth observation, and land system science communities to improve representation of land management in the Earth system modeling.
Multi-decadal variability controls short-term stratospheric water vapor trends
Authors: Tao Mengchu , Konopka Paul , Wright Jonathon S. , Liu Yi , Bian Jianchun , Davis Sean M. , Jia Yue , Ploeger Felix
Published: November 2023

Stratospheric water vapor increases are expected in response to greenhouse gas-forced climate warming, and these changes act as a positive feedback to surface climate. Previous efforts at inferring trends from the 3–4 decade-long observational stratospheric water vapor record have yielded conflicting results. Here we show that a robust multi-decadal variation of water vapor concentrations exists in most parts of the stratosphere based on satellite observations and atmospheric model simulations, which clearly divides the past 40 years into two wet decades (1986–1997; 2010–2020) and one dry decade (1998–2009). This multi-decadal variation, especially pronounced in the lower to middle stratosphere and in the northern hemisphere, is associated with decadal temperature anomalies (±0.2 K) at the cold point tropopause and a hemispheric asymmetry in changes of the Brewer-Dobson circulation modulating methane oxidation. Multi-decadal variability must be taken into account when evaluating stratospheric water vapor trends over recent decades.
End-to-end programmable computing systems
Authors: Xiao Yao , Ma Guixiang , Ahmed Nesreen K. , Capotă Mihai , Willke Theodore L. , Nazarian Shahin , Bogdan Paul
Published: November 2023

Recent technological advances have contributed to the rapid increase in algorithmic complexity of applications, ranging from signal processing to autonomous systems. To control this complexity and endow heterogeneous computing systems with autonomous programming and optimization capabilities, we propose aunified, end-to-end, programmable graph representation learning(PGL) framework that mines the complexity of high-level programs down to low-level virtual machine intermediate representation, extracts specific computational patterns, and predicts which code segments run best on a core in heterogeneous hardware. PGL extracts multifractal features from code graphs and exploits graph representation learning strategies for automatic parallelization and correct assignment to heterogeneous processors. The comprehensive evaluation of PGL on existing and emerging complex software demonstrates a 6.42x and 2.02x speedup compared to thread-based execution and state-of-the-art techniques, respectively. Our PGL framework leads to higher processing efficiency, which is crucial for future AI and high-performance computing applications such as autonomous vehicles and machine vision.
Electrodeposition of paracetamol oxide for intelligent portable ratiometric detection of nicotine and ethyl vanillin β-d-glucoside
Authors: Su Zhaohong , Hu Shiyu , Zhang Yuhang , Liang Zhanning , Peng Yi , Cao Qinyi , Yu Xia , Zhu Zhiyang , He Pei , Li Zhenjie
Published: November 2023

Herein, the electrodeposition of paracetamol oxide (PA ox) for the intelligent portable ratiometric detection of nicotine (NIC) and ethyl vanillin β-d-glucoside (EVG) is reported.
Cationic dextrin nanoparticles for effective intracellular delivery of cytochrome C in cancer therapy
Authors: Sarkar Ankita , Sarkhel Sanchita , Bisht Deepali , Jaiswal Amit
Published: November 2023

Intracellular protein delivery using cationic dextrin nanoparticles show promise as a selective and specific approach to cancer therapy.
Deep-red photoluminescent mechanoresponsive polymers with dynamic CuI-arylamide mechanophores
Authors: Gridneva Tatiana , Karimata Ayumu , Bansal Richa , Fayzullin Robert R. , Vasylevskyi Serhii , Bruhacs Andrew , Khusnutdinova Julia R.
Published: November 2023

Dynamic and modular copper arylamide complexes are efficient red/near-IR-emitting mechanophores in mechanoresponsive polymers showing reversible changes in photoluminescence intensity in response to mechanical stretching.
Synthesis of a novel tetra-phenol π-extended phenazine and its application as an organo-photocatalyst
Authors: Gentile Giuseppe , Bartolomei Beatrice , Dosso Jacopo , Demitri Nicola , Filippini Giacomo , Prato Maurizio
Published: November 2023

The synthesis and characterization of a novel π-extended tetra-phenol dihydrophenazine is reported. The derivative was effectively employed as organo-photocatalyst, underlining the great potential of this class of molecules in photocatalysis.
Cascade radical cyclization on 3-propargyl-2-alkenyl indole gives stereoselective access to cyclohepta[b]indole over carbazole
Authors: Gharpure Santosh J. , Kumari Sanyog
Published: November 2023

Cascade radical cyclization on 3-propargyl-2-alkenyl indole gives stereoselective access to cyclohepta[b]indole over carbazole.
Effects of solvents and metal ions on the synthesis, structural diversity and magnetic properties of the 5′-nitro-[1,1′:3′,1′′-terphenyl]-3,3′′,5,5′′-tetracarboxylic acid ligand and a highly sensitive sensor for Fe3+
Authors: Yang Yuan-Yu , Xue Jian-Hua , Yang Dong-Dong , Zhang Li-Yang , Ma Qi , Zhao Xuan
Published: November 2023

Solvents and metal ions play an important role in the construction of metal–organic frameworks (MOFs).
Metal-insulator transition and resistive switching in Y-doped CeO2 ceramics
Authors: Almutairi Fawaz , Alotaibi Meshari , West Anthony R.
Published: November 2023

Low field-induced resistive switching of Y-doped CeO2 ceramic.
The controlled engineering of surface oxygen defects on Bi2Zr2O7 compounds for catalytic soot combustion by adjusting the preparation methods
Authors: Zhang Shijing , Feng Xiaohui , Xu Zekai , Li Yuting , Wang Ping , Shen Jiating , Xu Junwei , Xu Xianglan , Fang Xiuzhong , Wang Xiang
Published: November 2023

The amount of surface oxygen defects on Bi2Zr2O7 can be optimized by tuning the preparation method.
UV-spectrum and photodecomposition of peroxynitrous acid in the troposphere
Authors: Chebbi Wiem , Derbel Najoua , Alijah Alexander , Cours Thibaud
Published: November 2023

Photolysis of HOONO is more rapid than thermal decomposition.
Evaluation of DNA–protein complex structures using the deep learning method
Authors: Zeng Chengwei , Jian Yiren , Zhuo Chen , Li Anbang , Zeng Chen , Zhao Yunjie
Published: November 2023

Biological processes such as transcription, repair, and regulation require interactions between DNA and proteins.
Efficient synthesis of glycerol carbonate by doping metallic copper in palladium-catalyzed glycerol system for carbonylation reaction
Authors: Lv Zhihao , Huang Pengpeng , Zhang Pingbo , Fan Mingming , Jiang Pingping , Leng Yan
Published: November 2023

The synergistic effect between copper and palladium promotes electron transport by using ZIF-8-derived Cu–NC materials to support palladium nanoparticles, which plays a crucial role in the ringing of glycerol carbonate.
Anchoring highly dispersed metal nanoparticles by strong electrostatic adsorption (SEA) on a dealuminated beta zeolite for catalysis
Authors: Zou Run , Bramley Gabriel A. , Xu Shanshan , Chansai Sarayute , Panchal Monik , Chen Huanhao , Zhou Yangtao , Gao Pan , Hou Guangjin , Holmes Stuart M. , Hardacre Christopher , Jiao Yilai , Logsdail Andrew J. , Fan Xiaolei
Published: November 2023

Enhanced interaction between metal precursors and silanol nests was demonstrated on a silanol-rich dealuminated beta zeolite by strong electrostatic adsorption, leading to the formation of highly dispersed Ni nanoparticles for effective catalysis.
De novo generated combinatorial library design
Authors: Johansson Simon Viet , Haghir Chehreghani Morteza , Engkvist Ola , Schliep Alexander
Published: November 2023

We introduce a framework for library design for de novo generated molecules, with consideration for availability of building blocks.
The anticancer application of half-sandwich iridium(iii) ferrocene-thiosemicarbazide Schiff base complexes
Authors: Liu Xicheng , Lv Ao , Zhang Pei , Chang Jiaying , Dong Ruixiao , Liu Mengxian , Liu Jiayi , Huang Xiaoqing , Yuan Xiang-Ai , Liu Zhe
Published: November 2023

Half-sandwich iridium(iii) ferrocene-thiosemicarbazide Schiff base complexes can induce apoptosis of A549 cells through a lysosomal–mitochondrial anticancer channel.
Selectively etching-off the highly reactive (002) Zn facet enables highly efficient aqueous zinc-metal batteries
Authors: Xu Dongming , Chen Benqiang , Ren Xueting , Han Chao , Chang Zhi , Pan Anqiang , Zhou Haoshen
Published: November 2023

By selectively etching-off the chemically unstable (002) Zn facet, vertically aligned Zn pillars of etched Zn greatly suppress the formation of dendritic Zn and water induced byproducts, thus enabling AZMBs with high coulombic efficiencies and long lifespans.
Montmorillonite-based materials for electrochemical energy storage
Authors: Wu Lian , He Xin , Zhao Yifang , Huang Kelei , Tong Zhangfa , Liao Bing , Pang Hao
Published: November 2023

Montmorillonite is widely applied in the field of electrochemical energy storage mainly due to its low cost, inherent high ionic conductivity, tuneable 2D layered structure, and abundant chemisorption active sites.
High-performance cation electrokinetic concentrator based on a γ-CD/QCS/PVA composite and microchip for evaluating the activity of P-glycoprotein without any interference from serum albumin
Authors: Zhang Runhui , Xu Jun , Deng Jieqi , Ouyang Wei , Chen Hanren , Tang Qing , Zheng Shiquan , Liu Lihong
Published: November 2023

A high-performance CEC is fabricated using γ-CD/QCS/PVA AEM and a microchip. The CEC exhibits excellent performance in evaluating the properties of P-gp by directly stacking and detecting Rho123 from diluted serum without any interference from HAS.
Comparative study of the thermal decomposition of ammonium nitrate in the presence of nanocrystalline copper ferrite
Authors: Dave Pragnesh N. , Sirach Ruksana
Published: November 2023

This study aims to investigate the catalytic effects of nanocrystalline copper ferrite (CF) on the thermal decomposition of ammonium nitrate.
Aerosol deposition of porous metal–organic materials onto diverse solid supports
Authors: Montone Christine M. , Bloch Eric D.
Published: November 2023

This study introduces an novel method for creating surface coatings from porous materials, specifically metal–organic frameworks (MOFs) and porous coordination cages (PCCs).
Impact of dipeptide on ADC physicochemical properties and efficacy identifies Ala–Ala as the optimal dipeptide
Authors: Wang Lu , Hobson Adrian D. , Fitzgibbons Julia , Hernandez Axel , Jia Ying , Xu Zhou , Wang Zhongyuan , Yu Yajie , Li Xiang
Published: November 2023

A glucocorticoid receptor modulator (GRM) was conjugated to a mouse anti-TNF antibody using various dipeptide linkers. Impact of dipeptide linkers on ADC physical properties, including solubility, hydrophobicity, and aggregation were evaluated.
Pyrazole derivatives as selective orexin-2 receptor antagonists (2-SORA): synthesis, structure–activity–relationship, and sleep-promoting properties in rats
Authors: Brotschi Christine , Bolli Martin H. , Gatfield John , Roch Catherine , Sifferlen Thierry , Treiber Alexander , Williams Jodi T. , Boss Christoph
Published: November 2023

Medicinal chemistry efforts starting from the GPCR agonist HTS hit 1 led to the discovery of the potent, selective, brain-penetrating, orally active orexin 2 receptor antagonists 43 that induced sleep in rats.
In situ growth of copper oxide on MXene by combustion method for electrochemical ammonia production from nitrate
Authors: Ingavale Sagar , Marbaniang Phiralang , Palabathuni Manoj , Mishra Nimai
Published: November 2023

Schematic representation of the electrocatalytic activity of CuxO/Ti3C2Tx for NO3RR.
Molybdenum disulfide, exfoliation methods and applications to photocatalysis: a review
Authors: Saliba Michelle , Atanas Jean Pierre , Howayek Tia Maria , Habchi Roland
Published: November 2023

This review provides a deep analysis of the mechanical and optoelectronic characteristics of MoS2.
Effect of SO2 introduction into CeO2 on its surface acidity and redox property for the selective catalytic reduction of NO with NH3
Authors: Zhang Xuejun , Mo Dujuan , Song Zhongxian , Liu Wei , Li Haiyang , Guan Nana , Zhang Mengru , Guo Ruihua , Huang Zhenzhen
Published: November 2023

Ce catalyst can remove part of NO through E–R mechanism. The reaction mechanism of H–Ce is the same as that of Ce. S–Ce can remove NO through E–R and L–H mechanism, and obtain excellent catalytic performance. H–S–Ce mainly follows the E–R mechanism.
Shape design of aqueous bubbles stabilized with millimeter-sized polymer plates
Authors: Sakurai Yuri , Kakiuchi Rina , Hayashi Masaki , Hirai Tomoyasu , Nakamura Yoshinobu , Fujii Syuji
Published: November 2023

Bubbles with polyhedral morphologies were fabricated using polymer plates as a stabilizer in a tailor-made manner.
Carboxymethylcellulose/layered double hydroxide dispersions for topical ocular delivery of non-steroidal anti-inflammatory drugs
Authors: Mosconi Giuliana , Formica María Lina , Palma Santiago D. , Rojas Ricardo
Published: November 2023

Drug delivery to ocular tissues is hindered by anatomical and physiological barriers that diminish their bioavailability. LDH/CMC dispersions are promising due to their sustained drug release and mucoadhesive ability.
Bromination of organic spacer impacts on the structural arrangement, phase transitions, and optical and electrical properties of a hybrid halide compound:[(CH3)3N(CH2)3Br]2PdBr4
Authors: Saadi Mohamed , Dakhlaoui Imen , Hajlaoui Fadhel , Drissi Nidhal , Zighrioui Mustapha , Jomni Fethi , Audebrand Nathalie , Cordier Marie , Karim Karoui
Published: November 2023

Understanding the structure and arrangement of organic inorganic hybrid metal halides and their contribution to physical properties remains a challenging topic.
Synthesis and spontaneous self-assembly of non-planar aromatic amide macrocycles
Authors: Rabban Rabban , Kumar Jinti Moni , Karmodak Naiwrit , Gole Bappaditya
Published: November 2023

The self-assembly behavior of a few nonplanar phenanthroline-based macrocycles has been explored. Well-defined self-assembled nanostructures were obtained even without any directional forces. Detailed spectroscopic, microscopic, and computational calculations revealed their self-assembly process.
Three rare nor-sesquiterpenoids with lipid-lowering activity from Belamcanda chinensis
Authors: Qianshi Yunhua , Huang Lei , Jin Jun , Li Yanmei , Li Yanan , Hao Xiaojiang , Yuan Chunmao
Published: November 2023

Belchinoids A–C (1–3), three unusual nor-sesquiterpenoids, were isolated from the roots of Belamcanda chinensis. Compound 2 exhibited the most potent inhibitory effect on the accumulation of triglycerides.
Preparation of barium sulfate chelating agent DTPA-5Na and molecular dynamics simulation of chelating mechanism
Authors: Ma Chao , Liu Xin , Wang Cheng , Gao Shengtian , Huang Xiaoyi
Published: November 2023

DTPA-5Na synthesized using specific chemicals. Its structure determined by infrared spectroscopy. It effectively removes BaSO4 scale through various methods. A model of DTPA-5Na and BaSO4 interaction was created using simulation software, where carboxylic groups play a significant role.
A polyacrylamide gel containing an engineered hexameric hemoprotein as a cross-linking unit toward redox-responsive materials
Authors: Kageyama Kazuki , Oohora Koji , Hayashi Takashi
Published: November 2023

We demonstrate fabricating a redox-responsive polyacrylamide gel using a hexameric hemoprotein reconstituted with acryloyl group-tethered heme derivatives.
Synthesis of component-controllable monolayer MoxW(1−x)S2ySe2(1−y) alloys with continuously tunable band gap and carrier type
Authors: Li You , Wang Kangkang , Wang Yiwen , Qian Ziyue , Huang Wenbin , Wang Junqi , Yang Qichao , Wang Honggang , Liao Junyi , Hussain Sabir , Xie Liming , Qi Junjie
Published: November 2023

In this study, we synthesized 25 monolayer MoxW(1−x)S2ySe2(1−y) alloys by using a new liquid phase edge epitaxy (LPEE) growth method with high controllability.
The enhanced properties and bioactivity of poly-ε-caprolactone/poly lactic-co-glycolic acid doped with carbonate hydroxyapatite–egg white
Authors: Patty Diana Julaidy , Nugraheni Ari Dwi , Ana Ika Dewi , Aminatun  , Sari Yessie Widya , Gunawarman  , Yusuf Yusril
Published: November 2023

In this study, we designed polycaprolactone (PCL)/polylactic-co-glycolate acid (PLGA) nanofibers doped with carbonate hydroxyapatite (CHA) and egg white (EW) with enhanced properties.
High-efficiency energy transfer in the strong orange-red-emitting phosphor CeO2:Sm3+, Eu3+
Authors: Van Hai Nguyen , Khanh Linh Nguyen Thi , Hien Dinh Thi , Hoan Bui Thi , Tu Nguyen Minh , Pham Vuong-Hung , Nguyen Duy-Hung , Anh Vu Tuan , Van Hoang Nhu
Published: November 2023

High-efficiency energy transfer (ET) from Sm3+ to Eu3+ leads to dominant red emission in Sm3+, Eu3+ co-doped single-phase cubic CeO2 phosphors.
Hydrogen spillover and substrate–support hydrogen bonding mediate hydrogenation of phenol catalyzed by palladium on reducible metal oxides
Authors: An Yeongseo , Chatterjee Puranjan , Naik Pranjali , Banerjee Sayak , Huang Wenyu , Slowing Igor I. , Venditti Vincenzo
Published: November 2023

Surface contrast solution NMR and reaction kinetic assays reveal an active role for H2 spillover in the phenol hydrogenation reaction catalyzed by Pd on reducible metal oxides.
Optimizing copper nanoparticles with a carbon shell for enhanced electrochemical CO2 reduction to ethanol
Authors: Yao Ting , Xia Wei , Han Shitao , Jia Shuaiqiang , Dong Xue , Wang Min , Jiao Jiapeng , Zhou Dawei , Yang Jiahao , Xing Xueqing , Chen Chunjun , He Mingyuan , Wu Haihong , Han Buxing
Published: November 2023

Employing a carbon shell-coating structure and Cu–C bonds enhanced the stability of the catalyst, promoted the formation and coupling process of CO*, ultimately favoring the reaction pathway to ethanol formation.
Improved transition metal photosensitizers to drive advances in photocatalysis
Authors: Kim Dooyoung , Dang Vinh Q. , Teets Thomas S.
Published: November 2023

This perspective focuses on strategies to manipulate and optimize three key determinants of metal-based molecular photosensitizers – the absorption profile, the excited-state redox potentials, and the excited-state lifetime.
Wearable stethoscope for lung disease diagnosis
Authors: Qiu Chundong , Zeng Wenru , Tian Wei , Xu Jingyi , Tian Yingnan , Zhao Chao , Liu Hong
Published: November 2023

A wearable stethoscope was optimized and demonstrated for lung disease classification in hospital.
AgInS2/CdSe type-II core/shell quantum dot-sensitized solar cells with an efficiency of 11.75% under 0.1 sun
Authors: Rahayu Siti Utari , Wang Yu-Rou , Shi Jen-Bin , Lee Ming-Way
Published: November 2023

We report the fabrication and photovoltaic performance of new type-II AgInS2/CdSe core/shell quantum dot-sensitized solar cells (QDSSCs).
Fe-based dual-atom catalysts for the oxygen reduction reaction
Authors: Zhang Wuyi , Yi Shiyuan , Yu Yihong , Liu Hui , Kucernak Anthony , Wu Jun , Li Song
Published: November 2023

This review surveys Fe-based dual-atom catalysts for oxygen reduction reactions in next-generation energy devices, including challenges with single-atom catalysts, synthetic methods, catalytic performance, and future research directions.
Computational insight into effective decomposition of NOX gas pollutants using N-vacancies in graphitic carbon nitride
Authors: Yang Yuewen , Zhao Yanling , Zhang Ruiqin
Published: November 2023

Sunlight and surface defects, working synergistically, make the g-CNNV film an eco-friendly and cost-effective photocatalyst for NOX removal.
Crystalline phase transition in as-synthesized pure silica zeolite RTH containing tetra-alkyl phosphonium as organic structure directing agent
Authors: Martinez-Ortigosa Joaquin , Millán Reisel , Simancas Jorge , Hernández-Rodríguez Manuel , Vidal-Moya J. Alejandro , Jordá Jose L. , Martineau-Corcos Charlotte , Sarou-Kanian Vincent , Boronat Mercedes , Blasco Teresa , Rey Fernando
Published: November 2023

Two distinct RTH phases are formed through the bonding of fluoride to different silicon sites and this is controlled by adjusting the synthesis conditions.
Highly selective photothermal conversion of CO2 to ethylene using hierarchical boxwood ball-like Weyl semimetal WTe2 catalysts
Authors: Zhang Xiaoyue , Dong Chaoran , Yang Yong , Hu Yingjie , Wu Lizhi , Gu Yu , Zhang Kan , Shen Jinyou
Published: November 2023

WTe2 is developed for efficient photothermal CO2 conversion to C2H4 for the first time. DFT calculations and in situ FTIR spectroscopy reveal that both W and Te as active sites promote C–C coupling to form C2H4 by suitable W–Te atomic distance.
Enhanced hydrogen evolution and symmetric supercapacitor performance of a Ru-doped multiphase WS2 electrode
Authors: Siva Pamula , Vasu Kuraganti
Published: November 2023

The metallic and semiconductive phase (1T/2H) coupling enhanced electrochemical energy generation and storage performance of the Ru-doped WS2 multifunctional electrode is reported here.
A novel magnetically guided, oxygen propelled CoPt/Au nanosheet motor in conjugation with a multilayer hollow microcapsule for effective drug delivery and light triggered drug release
Authors: Kariminia Samira , Shamsipur Mojtaba , Mansouri Kamran
Published: November 2023

In recent years, nanomotors have been developed and attracted extensive attention in biomedical applications.
The effect of the halogen on the structural, optoelectronic, and luminescent properties of hybrid (1,5-pentanediamine)PbX4 (X = Cl, Br, I) perovskites
Authors: Shtarev D. S. , Balanov M. I. , Major A. Ju. , Gerasimenko A. V. , Kevorkyants R. , Zharovov D. A. , Bulanin K. M. , Pankin D. V. , Rudakova A. V. , Chaplygina D. A. , Selivanov N. I. , Emeline A. V.
Published: November 2023

The present work reports on the experimental structures, and optoelectronic and luminescence properties of a series of low-dimensional hybrid organic–inorganic (1,5-pentanediamine)PbX4 (X = Cl, Br, I) perovskites.