bluuebunny/crossref_metadata_2025 huggingface dataset:
Effect of bio-polyol molecular weight on the structure and properties of polyurethane-polyisocyanurate (PUR-PIR) foams
Authors: Olszewski Adam , Kosmela Paulina , Vēvere Laima , Kirpluks Mikelis , Cabulis Ugis , Piszczyk Łukasz
Published: January 2024

The increasing interest in polyurethane materials has raised the question of the environmental impact of these materials. For this reason, the scientists aim to find an extremely difficult balance between new material technologies and sustainable development. This work attempts to validate the possibility of replacing petrochemical polyols with previously synthesized bio-polyols and their impact on the structure and properties of rigid polyurethane-polyisocyanurate (PUR-PIR). To date, biobased polyols were frequently used in the manufacturing of PU, but application of bio-polyols synthesized via solvothermal liquefaction using different chains of polyethylene glycol has not been comprehensively discussed. In this work, ten sets of rigid polyurethane foams were synthesized. The influence of bio-polyols addition on foam properties was investigated by mechanical testing, thermogravimetric analysis (TGA), and cone calorimetry. The structure was determined by scanning electron microscopy (SEM) and a gas pycnometer. The tests revealed a significant extension of foam growth time, which can be explained by possible steric hindrances and the presence of less reactive secondary hydroxyl groups. Moreover, an increase average size of pores and aspect ratio was noticed. This can be interpreted by the modification of the cell growth process by the introduction of a less reactive bio-polyol with different viscosity. The analysis of foams mechanical properties showed that the normalized compressive strength increased up to 40% due to incorporation of more cross-linked structures. The thermogravimetric analysis demonstrated that the addition of bio-based polyols increased temperature of 2% (T2%) and 5% (T5%) mass degradation. On the other hand, evaluation of flammability of manufactured foams showed increase of total heat release (HRR) and smoke release (TSR) what may be caused by reduction of char layer stability. These findings add substantially to our understanding of the incorporation of bio-polyols into industrial polyurethane systems and suggest the necessity of conducting further research on these materials.
Longitudinal changes in the ganglion cell complex thickness in acute central serous chorioretinopathy using spectral-domain optical coherence tomography
Authors: Kim Dong Ik , Bae Ki Woong , Jang Kyuhwan , Hwang Daniel Duck-Jin
Published: January 2024

In this retrospective longitudinal cohort study, we investigated the temporal changes in the peripapillary retinal nerve fiber layer (pRNFL) and inner retinal thickness in patients with acute central serous chorioretinopathy (CSC) using spectral-domain optical coherence tomography (SD-OCT). We followed up with these patients for 6 months, and during this period, the thickness of the pRNFL and the ganglion cell complex (GCC) in CSC patients were compared with the eyes of normal healthy individuals. The study also examined the correlation between the pRNFL thickness, GCC thickness, and visual acuity. The research sample consisted of 67 patients (43 male and 24 female) with an average age of 49.72 ± 9.87 years. The initial findings showed no significant differences in the pRNFL and GCC thickness between the study and fellow eye, study and normal healthy eyes, and fellow and normal healthy eyes. There was no significant difference in the pRNFL and GCC thickness when comparing the study eye with the fellow eye for 6 months. In the study eye, no significant difference was observed when comparing the initial GCC and pRNFL thickness with those at 1, 3, and 6 months. Visual acuity improved significantly from 0.18 ± 0.23 logMAR to 0.04 ± 0.06 logMAR (p < 0.001). The GCC and pRNFL thickness did not significantly affect visual acuity. In conclusion, acute CSC patients did not show significant changes in the pRNFL and inner retinal thickness, suggesting that the GCC and pRNFL do not substantially influence the short-term visual prognosis in these patients.
A possible case of offspring sex manipulation as result of a biased adult sex ratio
Authors: Arrieta Ramiro S. , Cornejo Paula , Mahler Bettina , Llambías Paulo E.
Published: January 2024

Although random meiosis should prevent the facultative adjustment of offspring sex ratio, theory predicts that females should produce more of the sex with the higher reproductive value. We reported a case of offspring sex ratio manipulation in grass wrens Cistothorus platensis. Males in better body condition would have higher reproductive value than females due to the potential for social polygyny and extra-pair fertilizations. On the other hand, local demography influences reproductive strategies in grass wrens as male abundance affects both social polygyny and extra-pair paternity frequencies. We evaluated whether females bias their brood sex ratio in response to adult sex ratio and nestling body condition (a proxy for female’s prospects of producing high-quality males). Females raised more male offspring when males were less abundant in the population (female-biased adult sex ratio). However, we found no relationship between nestling body condition and brood sex ratio, suggesting that females did not bias the brood sex ratio towards males when able to raise nestlings in better body condition. Taken together, our results provide the first suggestive evidence that female birds can manipulate their offspring sex ratio in response to the adult sex ratio.
miR-195b is required for proper cellular homeostasis in the elderly
Authors: Muñoz-Gallardo Maria del Mar , Garcia-Padilla Carlos , Vicente-Garcia Cristina , Carvajal Jaime , Arenega Amelia , Franco Diego
Published: January 2024

Over the last decade we have witnessed an increasing number of studies revealing the functional role of non-coding RNAs in a multitude of biological processes, including cellular homeostasis, proliferation and differentiation. Impaired expression of non-coding RNAs can cause distinct pathological conditions, including herein those affecting the gastrointestinal and cardiorespiratory systems, respectively. miR-15/miR-16/miR-195 family members have been broadly implicated in multiple biological processes, including regulation of cell proliferation, apoptosis and metabolism within distinct tissues, such as heart, liver and lungs. While the functional contribution of miR-195a has been reported in multiple biological contexts, the role of miR-195b remains unexplored. In this study we dissected the functional role of miR-195b by generating CRISPR-Cas9 gene edited miR-195b deficient mice. Our results demonstrate that miR-195b is dispensable for embryonic development. miR-195b−/− mice are fertile and displayed no gross anatomical and/or morphological defects. Mechanistically, cell cycle regulation, metabolism and oxidative stress markers are distinctly impaired in the heart, liver and lungs of aged mice, a condition that is not overtly observed at midlife. The lack of overt functional disarray during embryonic development and early adulthood might be due to temporal and tissue-specific compensatory mechanisms driven by selective upregulation miR-15/miR-16/miR-195 family members. Overall, our data demonstrated that miR-195b is dispensable for embryonic development and adulthood but is required for cellular homeostasis in the elderly.
Effect of integrated hepatitis C virus treatment on psychological distress in people with substance use disorders
Authors: Aas Christer F. , Vold Jørn Henrik , Chalabianloo Fatemeh , Løberg Else-Marie , Lim Aaron G. , Vickerman Peter , Johansson Kjell Arne , Fadnes Lars Thore
Published: January 2024

People with substance use disorders (SUD) have a high prevalence of chronic hepatitis C virus (HCV) infection and mental health disorders. We aimed to assess the impact of integrated HCV treatment on psychological distress measured by Hopkins-symptom-checklist-10 (SCL-10). This multi-center randomized controlled trial evaluated psychological distress as a secondary outcome of integrated HCV treatment (INTRO-HCV trial). From 2017 to 2019, 289 participants were randomly assigned to receive either integrated or standard HCV treatment with direct-acting antiviral therapy. Integrated HCV treatment was delivered in eight decentralized outpatient opioid agonist therapy clinics and two community care centers; standard treatment was delivered in internal medicine outpatient clinics at centralized hospitals. Participants in the integrated treatment arm had a sustained virologic response of 93% compared to 73% for those in standard treatment arm. Psychological distress was assessed using SCL-10 prior to initiation of HCV treatment and 12 weeks after treatment completion. The mean SCL-10 score prior to HCV treatment was 2.2 (standard deviation [SD]: 0.7) for patients receiving integrated HCV treatment and 2.2 (SD: 0.8) for those receiving standard HCV treatment. Twelve weeks after the end of treatment, the mean SCL-10 score change was − 0.1 (− 0.3;0.0) in the integrated compared to the standard arm. Psychological distress did not substantially change during the treatment period and was not significantly different between the treatment arms.
Finding stable and closely linked QTLs against spot blotch in different planting dates during the adult stage in barley
Authors: Taliei Fakhtak , Sabouri Hossein , Kazerani Borzo , Ghasemi Shahram
Published: January 2024

The common resistance to Spot Blotch (SB) and drought stress in barley was studied using a RILs population caused Kavir × Badia cross. These lines were inoculated with Cochliobolus sativus Gonbad isolate during the adult stage and were evaluated for three crop seasons in different planting dates. The different osmotic potentials during the flowering were regulated by changing the planting dates. In total, 43 lines had resistant to SB and drought. The high-density linkage map covered 1045 cM of barley genome. A total of five stable and closely linked QTLs to SB resistance were mapped on chromosomes 2H, 3H, 4H and 7H using genome-wide composite interval mapping. Moreover, four stable and closely linked QTLs to SB susceptibility were located on chromosomes 3H, 4H, 5H and 7H. Additionally, the ISJ19-A, SCoT7-C, ISJ17-B, Bmac0144k, iPBS2415-1, Bmac0282b and EBmatc0016 markers can be used for positive screening of resistant cultivars. However, ISJ3-C, UMB310, ISJ9-B, UMB706, D03-D and iPBS2257-A markers can be used for negative screening of susceptible cultivars in marker-assisted selection. The bioinformatics studies showed that QRCsa-2H (ISJ19-A region), QRCsa-2H (SCoT7-C-ISJ17-B region), QRCsa-3H (Bmac0144k region), QRCsa-4H (iPBS2415-1 region) and QRCsa-7H (Bmac0282b-EBmatc0016 region) are involved in the carboxypeptidase, Glycosyltransferase, transcription factors, kinase and AP2/ERF, respectively.
Hybrid whale optimization algorithm for enhanced routing of limited capacity vehicles in supply chain management
Authors: Pham Vu Hong Son , Nguyen Van Nam , Nguyen Dang Nghiep Trinh
Published: January 2024

The present study focuses on the problem of vehicle routing with limited capacity, with the objective of minimizing the transportation distance required to serve h clients with predetermined locations and needs. The aim is to create k trips that cover the shortest possible distance. To achieve this goal, a hybrid whale optimization algorithm (hGWOA) is proposed, which combines the whale optimization algorithm (WOA) with the grey wolf optimizer (GWO). The proposed hybrid model is comprised of two main steps. First step, the GWO’s hunting mechanism is integrated transitioning to the utilization phase of WOA, and a newly devised state is introduced that is linked to GWO. In the second step, a novel technique is incorporated into the exploration mission phase to enhance the resolve after per iteration. The algorithm’s performance is assessed and compared with other modern algorithms, including the GWO, WOA, ant lion optimizer (ALO), and dragonfly algorithm (DA) using 23 benchmark test functions and CEC2017 benchmark test function. The results indicate that the hybrid hGWOA method outperforms other algorithms in terms of delivery distance optimization for scenarios involving scale and complexity. These findings are corroborated through case studies related to cement delivery and a real-world scenario in Viet Nam.
Research on the variation law of floor stress information entropy in upper protective layer mining based on Brillouin optical fiber sensing
Authors: Chai Jing , Yang Gaoyi , Zhang Dingding , Yang Jianfeng , Li Zhi , Yan Zhe , Wang Zixu , Ouyang Yibo , Lei Wulin , Zheng Zhongyou , Sun Kai , Han Gang , Weng Mingyue
Published: January 2024

The characteristics of floor failure and stress changes during the mining process of protective layers are crucial for determining the effectiveness of pressure relief. Three boreholes were designed in the 21104 fully mechanized mining face of Hulusu Coal Mine to implant optical fibers into the floor of the working face. A fiber optic monitoring system was established to monitor the dynamic evolution of stress in the floor rock mass at different mining distances. Based on the information entropy in information theory, the monitoring results in the fiber optic monitoring system are calculated to obtain the stress information entropy at different mining distances. A quantitative dynamic analysis is conducted on the stress change process of the mining floor rock layer, and the stress change law of the protective layer after mining is verified through numerical calculation and similar simulation experiments. The results indicate that the evolution of stress information entropy can be divided into four stages, namely the original rock stress stage, stress concentration stage, stress release stage, and stress recovery stage. The stress information entropy shows a fluctuating upward trend, indicating that coal seam mining leads to a decrease in the orderliness of the overlying rock system and an increase in disorder. In different spatial evolution processes, there are also significant differences in stress information entropy. In the vertical direction, the entropy value of shallow rock layers changes greatly, while the entropy value of deep rock layers changes slightly. Mining leads to a decrease in the orderliness of the entire overlying rock system, an increase in stress information entropy, and a fluctuating upward trend in stress information entropy. The information entropy of overlying rock deformation and re compaction increases, but the degree of change of the former is greater than that of the latter. The Brillouin fiber optic sensing technology provides a new method for monitoring the stress changes in the protective layer mining floor, achieving quantitative analysis of floor rock failure.
Nonlinear convection stagnation point flow of Oldroyd-B nanofluid with non-Fourier heat and non-Fick’s mass flux over a spinning sphere
Authors: Kenea Gadisa , Ibrahim Wubshet
Published: January 2024

The current paper concerned with a non-linear convection flow of the Oldroyd-B nanofluid at a point of stagnation across a rotating sphere under the influence of convective heat and passive control conditions. The analysis of energy and concentration transition has been scrutinized based on the Cattaneo–Christov diffusion model. The formulated coupled mathematical problem involving boundary requirements can be alerted to a set of highly nonlinear ordinary differential equations by employing similarity analysis. The numerical solution for the governing problem was computed by utilizing bvp4c solver method. The performance of velocity fields, skin friction drag, energy, heat transfer rate, and concentration for various control parameters has been analyzed using diagrams and tables. The findings stipulated that velocity, temperature, and nanoparticle are enhanced for the relaxation time constant while they decay for the retardation time parameter. The upshots also confirmed that enlarging magnetic parameters leads to improve both linear velocity and coefficient of skin friction. The velocity profiles are enhanced as a function of the rotation constant. But, normal velocity declines for buoyancy force ratio, and the same trend is being noted for magnetic and relaxation time parameters on angular velocity. The fluid temperature declines for the Prandtl number and augments for thermal convective parameter. The coefficient of skin friction decreases for larger thermal relaxation and rotation parameters, whereas an analogous effect is being noticed for Brownian parameter on the concentration field. Further, the thermophoresis parameter displays an enhancing tendency on temperature as well as concentration profile while bringing down the Nusselt number. The Lewis number and solutal relaxation parameter filter the concentration field. The graph of the streamline is sketched for identical values of the magnetic parameter and noticed that the contour lines increased as magnified. Confirmation of the current outcomes with former studies is presented.
Nuts, vegetables, fruits, and protein dietary pattern during pregnancy is inversely associated with risk of childhood allergies: a case–control study
Authors: Adineh Parisa , Amini Shirin , Abolnezhadian Farhad , Jafari Fatemeh , Ebrahimian Niayesh
Published: January 2024

Allergic diseases are prevalent chronic conditions among children and can lead to significant health and economic issues. It is hypothesized that healthy and high quality diet during pregnancy can prevent the onset of allergic diseases in offspring. This study aimed to investigate the potential relationship between major dietary patterns during pregnancy and allergies in children under one year of age. This case–control study was conducted involving 244 participants (122 mothers of allergic children and 122 healthy controls) who visited pediatricians and allergy outpatient clinics in Khuzestan Province, Iran, between June 2022 and March 2023. Demographic information was recorded using a socio-demographic questionnaire. A food frequency questionnaire was used to identify the foods consumed during pregnancy. Major dietary patterns were extracted using principal component analysis, and the potential relationship between these patterns and childhood allergies was investigated using multivariable logistic regression models. The crude odds ratio (OR) analysis showed that the fourth quartile of "Nut, vegetables, fruits, and protein" dietary pattern was associated with lower occurrence of childhood allergies (OR: 0.214, 95% CI = 0.068–0.679; P trend = 0.211). After adjusting for cofactors in Model 3, this association was still observed in the fourth quartile (OR = 0.108, 95% CI = 0.019–0.613; P trend, 0.001). However, no significant association was observed between "Carbohydrate and cereals" and "Salty" dietary patterns and childhood allergies. The study findings suggest that a maternal dietary pattern rich in nuts, vegetables, and fruits during pregnancy may reduce the risk of allergic diseases in offspring.
New perspective on first-trimester serum uric acid level in predicting the risk of gestational diabetes mellitus
Authors: Li Xiaojing , Niu Ziru , Bai Liwei , Lu Qiang
Published: January 2024

This study aimed to investigate the correlation between serum uric acid (UA) and gestational diabetes mellitus (GDM) during the first trimester and provide a new perspective for the prevention and treatment of GDM. Based on the diagnostic criteria of gestational diabetes of the International Association of Diabetes and Pregnancy Study Groups, 1744 and 4256 patients were enrolled in the GDM and normal glucose tolerance (NGT) groups. Four groups were constituted based on the quartile of first-trimester serum UA (UA) level, and the differences in each indicator between groups were compared. Logistic regression was used to analyze the effects of UA level on GDM risk. The rate of GDM in the UA quartile changed from low to high. Significant differences were also observed in fasting plasma glucose level, 1 h post glucose and 2 h post glucose levels, in all the groups (P < 0.05), which increased with the UA level. UA level were independent risk factors for GDM. The best threshold of GDM predicted by the first-trimester UA level was 226.55 μmol/L. The first-trimester UA level in patients with GDM was relatively higher and was an independent risk factor for GDM.
A monthly temperature prediction based on the CEEMDAN–BO–BiLSTM coupled model
Authors: Zhang Xianqi , Ren He , Liu Jiawen , Zhang Yuehan , Cheng Wanhui
Published: January 2024

Temperature as an important indicator of climate change, accurate temperature prediction has important guidance and application value for agricultural production, energy management and disaster warning. Based on the advantages of CEEMDAN model in effectively extracting the time–frequency characteristics of nonlinear and nonsmooth signals, BO algorithm in optimizing the objective function within a limited number of iterations, and BiLSTM model in revealing the connection between the current data, the previous data and the future data, a monthly average temperature prediction model based on CEEMDAN–BO–BiLSTM is established. A CEEMDAN–BO–BiLSTM-based monthly average temperature prediction model is developed and applied to the prediction of monthly average temperature in Jinan City, Shandong Province. The results show that the constructed monthly mean temperature prediction model based on CEEMDAN–BO–BiLSTM is feasible; the constructed CEEMDAN–BO–BiLSTM model has an average absolute error of 1.17, a root mean square error of 1.43, an average absolute percentage error of 0.31%, which is better than CEEMDAN–BiLSTM, EMD–BiLSTM, and BiLSTM models in terms of prediction accuracy and shows better adaptability; the constructed CEEMDAN–BO–BiLSTM model illustrates that the model is not over-modeled and adds complexity using Friedman’s test and performance comparisons between model run speeds. The model provides insights for effective forecasting of monthly mean temperatures.
Deep learning reveals moisture as the primary predictability source of MJO
Authors: Shin Na-Yeon , Kim Daehyun , Kang Daehyun , Kim Hyemi , Kug Jong-Seong
Published: January 2024

The Madden-Julian Oscillation (MJO) is the dominant mode of tropical intraseasonal variability that interacts with many other Earth system phenomena. The prediction skill of the MJO in many operational models is lower than its potential predictability, partly due to our limited understanding of its predictability source. Here, we investigate the source of MJO predictability by combining machine learning (ML) with a 1200-year-long Community Earth System Model version 2 (CESM2) simulation. A Convolutional Neural Network (CNN) for MJO prediction is first trained using the CESM2 simulation and then fine-tuned using observations via transfer learning. The source of MJO predictability in the CNN is examined via eXplainable Artificial Intelligence (XAI) methods that quantify the relative importance of the input variables. Our CNN exhibits an enhanced prediction skill over previous ML models, achieving a skill level of about 25 days. This level of performance is slightly superior or comparable to most operational models participating in the S2S project, although a few dynamical models surpass it. The XAI methods highlight precipitable water anomalies over the Indo-Pacific warm pool as the primary precursors of the subsequent MJO development for 1–3 weeks forecast lead times. Our results suggest that realistic representation of moisture dynamics is crucial for accurate MJO prediction.
Breaking the fast: first report of dives and ingestion events in molting southern elephant seals
Authors: Charlanne Laura M. , Chaise Laureline , Sornette Damien , Piot Erwan , McCafferty Dominic J. , Ancel André , Gilbert Caroline
Published: January 2024

Southern elephant seals (SES) experience a ‘catastrophic molt’, a costly event characterized by the renewal of both hair and epidermis that requires high peripheral vascular circulation. Molting animals are therefore constrained by high metabolic heat loss and are thought to fast and remain on land. To examine the ability of individuals to balance the energetic constraints of molting on land we investigate the stomach temperature and movement patterns of molting female SES. We find that 79% of females swam and 61% ingested water or prey items, despite the cost of cold-water exposure while molting. This behavior was related to periods of warm and low wind conditions, and females that dived and ingested more often, lost less body mass. We conclude that the paradigm of fasting during the molt in this species, and the fitness consequences of this behavior should be reconsidered, especially in the context of a changing climate.
Single-cell transcriptomic analyses of tumor microenvironment and molecular reprograming landscape of metastatic laryngeal squamous cell carcinoma
Authors: Sun Yuanyuan , Chen Sheng , Lu Yongping , Xu Zhenming , Fu Weineng , Yan Wei
Published: January 2024

Laryngeal squamous cell carcinoma (LSCC) is a malignant tumor with a high probability of metastasis. The tumor microenvironment (TME) plays a critical role in cancer metastasis. To gain insights into the TME of LSCC, we conducted single-cell RNA-seq (scRNA-seq) on samples collected from LSCC patients with or without lymphatic metastasis. The stem and immune cell signatures in LSCC suggest their roles in tumor invasion and metastasis. Infiltration of a large number of regulatory T cells, dysplastic plasma cells, and macrophages that are at the early development stage in the cancerous tissue indicates an immunosuppressive state. Abundant neutrophils detected at the cancer margins reflect the inflammatory microenvironment. In addition to dynamic ligand-receptor interactions between the stromal and myeloid cells, the enhanced autophagy in endothelial cells and fibroblasts implies a role in nutrient supply. Taken together, the comprehensive atlas of LSCC obtained allowed us to identify a complex yet unique TME of LSCC, which may help identify potential diagnostic biomarkers and therapeutic targets for LSCC.
Chemical sensor thin film-based carbon quantum dots (CQDs) for the detection of heavy metal count in various water matrices
Authors: Vyas Tanmay , Joshi Abhijeet
Published: January 2024

A folic acid-based CQD thin film for heavy metal detection in various water resources using a fiber optic spectrometer.
In situ setup for screening of drug permeation by NMR spectroscopy
Authors: Mildner Malte , Hanio Simon , Endres Sebastian , Scheller Lena , Engel Bettina , Castañar Laura , Meinel Lorenz , Pöppler Ann-Christin
Published: January 2024

A diffusion cell setup within an NMR tube enables automated drug permeability measurements. Challenges, modifications, and additional applications are discussed.
Green-route manufacturing towards future industrialization of metal halide perovskite nanocrystals
Authors: Tang Xiaobing , Quan Wenzhuo , Yang Fuqian
Published: January 2024

Using toxic organic solvents hinders the progress in the commercialization of PeNCs. The green routes discussed in this article for the synthesis of PeNCs are expected to be a major step forward for their future industrialization.
Trifluoroethylamine-substituted solvatochromic fluorophores exhibit polarity-insensitive high brightness
Authors: Xu Ning , Qiao Qinglong , Chen Jie , Tao Yi , Bao Pengjun , Zhang Yinchan , Li Jin , Xu Zhaochao
Published: January 2024

In this study, we have uncovered that trifluoroethylamine-substituted solvatochromic fluorophores maintain consistently high and stable fluorescence intensity in diverse polar environments, including highly polar and protic solvents.
Cyanation with isocyanides: recent advances and perspectives
Authors: Shan Yingying , Zhang Xiuhua , Liu Gongle , Li Jianming , Liu Yongwei , Wang Jia , Chen Dianpeng
Published: January 2024

This review focuses on the cyanation of isocyanides with recent advances and perspectives.
Olefin skeletal rearrangement enabling access to multiarylated N-sulfonyl amidines
Authors: Cui Chen-Chang , Lin Feng , Wang Lu-Yao , Liu Yin-Ping , Tu Shu-Jiang , Tu Man-Su , Hao Wen-Juan , Jiang Bo
Published: January 2024

A novel base-promoted olefin skeletal rearrangement strategy from para-quinone methides (p-QMs) and N-fluoroarenesulfonamides is reported, enabling direct nitrogen insertion of olefins to produce multiarylated (Z)-N-sulfonyl amidines.
Developing a model-driven workflow for the digital design of small-scale batch cooling crystallisation with the antiviral lamivudine
Authors: Pickles Thomas , Mustoe Chantal , Boyle Christopher , Cardona Javier , Brown Cameron J. , Florence Alastair J.
Published: January 2024

A model-driven workflow that uses digital tools and small-scale experiments to maximise the efficiency in achieving a desired set of crystallisation responses, kinetics and objectives.
Energy level measurement for organic semiconductors
Authors: Zhou Xuehua , Yang Shixing , Li Qingxia , Bai Guoliang , Wang Chunhua , Han Chao
Published: January 2024

The main energy levels in organic semiconductors include the LUMO and HOMO. The LUMO determines the transport characteristics of electrons and the HOMO controls the transport behavior of holes.
The empty world – a view from the free volume concept and Eyring's rate process theory
Authors: Hao Tian
Published: January 2024

The many-body problem is a common issue, irrespective of the scale of entities under consideration.
A novel electrochemical flow-cell for operando XAS investigations in X-ray opaque supports
Authors: Paparoni Francesco , Alizon Guillaume , Zitolo Andrea , Rezvani Seyed Javad , Di Cicco Andrea , Magnan Hélène , Fonda Emiliano
Published: January 2024

Electrochemical cell for operando XAS measurements down to the Ti K edge. Sample is probed from the electrolyte side. As a case study, we investigated Ni-doped maghemite epitaxially grown on Pt as a catalyst for the oxygen evolution reaction.
Two-photon excited-state dynamics of mEGFP-linker-mScarlet-I crowding biosensor in controlled environments
Authors: Mersch Sarah A. , Bergman Sarah , Sheets Erin D. , Boersma Arnold J. , Heikal Ahmed A.
Published: January 2024

We characterize a novel macromolecular crowding biosensor using multiple modalities of ultrafast time-resolved two-photon fluorescence for FRET, rotational dynamics, and thermodynamic equilibrium analyses in controlled Ficoll-70 solutions.
Anisotropic fluid flows in black phosphorus nanochannels
Authors: Jian Ruda , Wu Shiwen , Tian Siyu , Mashhadian Amirarsalan , Xu Zhihao , Leonardi Stefano , Luo Tengfei , Xiong Guoping
Published: January 2024

With the development of advanced micro/nanoscale technologies, two-dimensional materials have emerged from laboratories and have been applied in practice.
The role of helicity in PFAS resistance to degradation: DFT simulation of electron capture and defluorination
Authors: McTaggart Matt , Malardier-Jugroot Cécile
Published: January 2024

DFT simulation of the changes that occur in linear PFAS molecular geometry after electron capture show a characteristic loss and restoration of the helical conformation in the carbon tail, highlighting the role of entropy in PFAS destruction.
Ion mobility calculations of flexible all-atom systems at arbitrary fields using two-temperature theory
Authors: Mubas-Sirah Farah , Gandhi Viraj D. , Latif Mohsen , Hua Leyan , Tootchi Amirreza , Larriba-Andaluz Carlos
Published: January 2024

This study introduces a high-field calculation method for ion mobility, focusing on structural changes in ions resulting from heating due to high fields. This approach notably improves ion mobility prediction in arbitrary field systems.
Solvothermal synthesis of VO2 nanoparticles with locally patched V2O5 surface layer and their morphology-dependent catalytic properties for the oxidation of alcohols
Authors: Gömpel Dorothea , Tahir Muhammad Nawaz , Khan Mujeeb , Adil Syed Farooq , Shaik Mohammed Rafi , Kuniyil Mufsir , Al-Warthan Abdulrahman , Tremel Wolfgang
Published: January 2024

Preparation of VO2 nanocatalysts in different morphologies for the selective oxidation of benzyl alcohol and furfural.
Enhancing catalysis studies with chat generative pre-trained transformer (ChatGPT): Conversation with ChatGPT
Authors: Ansari Navid , Babaei Vahid , Najafpour Mohammad Mahdi
Published: January 2024

This study describes the integration of generative pre-trained transformer and similar large language models in catalysis research, highlighting their potential to revolutionize understanding and innovation in oxygen-evolution reaction catalysts.
Acid catalyst screening for hydrolysis of post-consumer PET waste and exploration of acidolysis
Authors: Pereira Patrícia , Savage Phillip E. , Pester Christian W.
Published: January 2024

We screen various acid catalysts (mineral, carboxylic, carbonic acids, zeolites, ionic liquids, and metal salts) for PET hydrolysis.
Multifunctional biomass-based chemicals: H2S scavenging
Authors: Koue Asger M. , Montero Fernando , Skjolding Lars M. , Kucheryavskiy Sergey , Maschietti Marco , Pedersen Christian M.
Published: January 2024

Multivalent biomass-based H2S scavengers have been prepared in a few steps from cheap and readily available chemicals and evaluated using state-of-the-art in situ Raman spectroscopy under reaction conditions relevant to industrial applications.
Beyond acceptable limits: intrinsic contamination in commercial 15N2 impedes reliable N2 reduction experiments
Authors: De Ras Michiel , Hollevoet Lander , Martens Johan. A. , Liu Tianxi , Nicolai Bart M. , Hertog Maarten L. A. T. M. , Hofkens Johan , Roeffaers Maarten B. J.
Published: January 2024

The validity of N2 reduction experiments relies on control experiments with isotopically labelled 15N2. Commercially obtained 15N2 contains high amounts of 15NH3 and other activated nitrogen species which are readily reduced to 15NH3.
Flexible, transparent, and sustainable cellulose-based films for organic solar cell substrates
Authors: Huang Lewen , Li Yibao , Zheng Zhong , Bai Yun , Russell Thomas P. , He Changfei
Published: January 2024

Cellulose vitrimers, wherein dynamic bonds are incorporated into the cellulose network to replace a portion of the hydrogen bonds, have proven successful as flexible substrate materials for organic solar cells, outperforming traditional petroleum-based polyethylene naphthalate.
Nanosized epiberberine-loaded chitosan-collagen nanocomposites: synthesis and evaluation of their cognitive and AChE inhibition enhancing potential in a scopolamine-induced amnesia rat model
Authors: Bashir Dar Junaid , Manzoor Saliha , Siddiqui Mobin Ahsan , Bashir Masarat , Nidhi  , Rastogi Shweta , Arora Indu , Samim Mohammed
Published: January 2024

Epiberberine is one of the main constituents of Coptidis Rhizoma and has been found to be active against diseases such as hyperglycemia, hyperlipidemia, and Alzheimer's disease.
Facile fabrication of embedded g-C3N4/MoS2 nano-adsorbent for the removal of persistent rhodamine B contaminant in aqueous solution
Authors: Adak Sayantan , Ghosh Chaudhuri Rajib , Mandal Mrinal Kanti
Published: January 2024

In this study, a superior nanocomposite adsorbent g-C3N4/MoS2 was synthesized for the removal of an environmentally noxious pollutant rhodamine B. The nanocomposite showed fast adsorptive removal rate of more than 97% in 90 min.
Crystal structure, magnetic properties and theoretical study of a bithiazolebis(oxamate)-containing [NiII3] helicate
Authors: Kalinke Lucas H. G. , Silva Mariany S. , Rabelo Renato , Valdo Ana K. , Martins Felipe T. , Moliner Nicolás , Julve Miguel , Lloret Francesc , Cano Joan , Cangussu Danielle
Published: January 2024

New trinuclear Ni(ii) complex exhibiting intratrimer both weak ferro- and antiferromagnetic interactions resulting from the strict orthogonality between the magnetic orbitals, and a combination of spin delocalisation and spin polarisation mechanisms.
Tuning of hydrophobic–hydrophilic balance for the development of a salt-tolerant and protease-resistant lipopeptide AMP
Authors: Chetia Monikha , Sarkar Tanumoy , Yadav Maitery , Dey Chandrima , Sundaravadivelu Pradeep Kumar , Thummer Rajkumar P. , Chatterjee Sunanda
Published: January 2024

Hydrophobic-hydrophilic balance of lipopeptides was tuned to generate a non-cytotoxic, salt-tolerant, and protease-resistant AMP, P18.
A mechanoluminescent CdSiO3:Tb3+/PDMS composite elastomer with a deep trap
Authors: Lei Yutong , Zeng Wei , Chen Xin , Chen Wenxiao , Mei Mengdi , Wang Yue
Published: January 2024

The mechanoluminescence of CdSiO3:Tb3+/PDMS composite elastomers is partly derived from the deep trap energy of phosphors under pressure.
Ionic plastic crystals and ionic liquids containing quaternary cations with alkenyl substituents: chemical phase transformations by bromine vapor
Authors: Nakazono Yosuke , Inoue Ryota , Sumitani Ryo , Mochida Tomoyuki
Published: January 2024

Quaternary ammonium salts with vinyl or allyl substituents were synthesized, which underwent bromine addition reactions under bromine vapor, resulting in transformations between ionic plastic crystals, ionic liquids, and ordinary ionic crystals.
Dichotomy of π-stacking-directing noncovalent forces in organic–inorganic planar assemblies: the case of halo-substituted benzoquinones π-stacked with a platinum(ii) square-plane
Authors: Katlenok Eugene A. , Rozhkov Anton V. , Kuznetsov Maxim L. , Suslonov Vitalii V. , Kukushkin Vadim Yu.
Published: January 2024

The same organic–inorganic π-stacked structures of tetrahalo-1,4-benzoquinones QX (X = F, Cl, Br, I) with different interplanar holding forces have been investigated.
Iodine radical mediated cascade [3 + 2] carbocyclization of ene-vinylidenecyclopropanes with thiols and selenols via photoredox catalysis
Authors: Meng Zhe , Shi Min , Wei Yin
Published: January 2024

A iodine radical mediated cascade [3 + 2] carbocyclization of ene-vinylidenecyclopropanes with thiols and selenols to provide sulfur- or selenium-containing derivatives has been disclosed.
Solution combustion synthesis of MgO-stabilized CaO sorbents using polyethylene glycol as fuel and dispersant
Authors: Sun Rongyue , Shen Hao , Lv Xun , Wang Yichen , Hu Tianjiao
Published: January 2024

Using polyethylene glycol as the fuel and dispersant, highly reactive MgO-stabilized CaO sorbent was synthesized by solution combustion, with a CO2 capture capacity of 0.40 g(CO2)/g(sorbent) after 20 cycles.
Chemically heparinized PEEK via a green method to immobilize bone morphogenetic protein-2 (BMP-2) for enhanced osteogenic activity
Authors: Goh MeeiChyn , Min Kiyoon , Kim Young Ha , Tae Giyoong
Published: January 2024

Heparinized PEEK via a green method provided a sustained release of loaded BMP-2, leading to enhanced osteogenic activity of an osteoblast cell line. This strategy could improve the osseointegration of PEEK-based bone implants.
How cycloalkane fusion enhances the cycloaddition reactivity of dibenzocyclooctynes
Authors: Svatunek Dennis , Murnauer Anton , Tan Zhuoting , Houk K. N. , Lang Kathrin
Published: January 2024

Cis-fusion of cyclopropane to dibenzocyclooctyne (DMBO) results in high cycloaddition reactivity via enforcing a unique tub-like structure in the transition state that allows tetrazines and azides to approach DMBO from an unhindered face trajectory.
Highly improved aqueous Zn‖LiMn2O4 hybrid-ion batteries using poly(ethylene glycol) and manganese sulfate as electrolyte additives
Authors: Kong Jingyi , Guo Hanling , Li Yuan , Gong Min , Lin Xiang , Zhang Liang , Wang Dongrui
Published: January 2024

Using a low dosage of poly(ethylene glycol) and MnSO4 for co-filling a bisalt electrolyte efficiently enhances the charging/discharging cycling performance of aqueous Zn‖LiMn2O4 batteries at relatively low current densities.
Solution plasma assisted Mn-doping: a novel strategy for developing highly durable and active oxygen evolution catalysts
Authors: He Hao , Matsuda Takeshi , Miura Akira , Nagao Masanori , Padarti Jeevan Kumar , Ohno Tomoya , Hirai Shigeto
Published: January 2024

We have revealed that solution plasma assisted Mn-doping is a powerful strategy for enhancing the durability and activity of Co-based OER catalysts, where the OER activity is enhanced by a factor of 11 for Ca3Co4O9.
Confinement-induced self-assembly of a diblock copolymer within a non-uniform cylindrical nanopore
Authors: Singh Jagat , Gupta Supriya , Chokshi Paresh
Published: January 2024

A circular pore with axial variation in radius alters ordered microstructures from those obtained in a cylindrical nanopore.
Multifunctional fluorescent SPIONs display exceptional optical/magnetic contrast and enhanced photoconductivity in interdigitated electrode based photoresponsive devices
Authors: Tiwari Ashish , Debnath Ayan , Moinuddin Mohamad G. , Mushtaq Aamir , Singh Anup , Sharma Satinder K. , Randhawa Jaspreet K.
Published: January 2024

The schematic process of the fabrication of a SPION metal-based μ-IDE device.
Revealing chromatin-specific functions of histone deacylases
Authors: Moreno-Yruela Carlos , Fierz Beat
Published: January 2024

Histone deacylases are erasers of Nε-acyl-lysine post-translational modifications and have been targeted for decades for the treatment of cancer, neurodegeneration and other disorders. Due to their relatively promiscuous activity on peptide substrates in vitro, it has been challenging to determine the individual targets and substrate identification mechanisms of each isozyme, and they have been considered redundant regulators. In recent years, biochemical and biophysical studies have incorporated the use of reconstituted nucleosomes, which has revealed a diverse and complex arsenal of recognition mechanisms by which histone deacylases may differentiate themselves in vivo. In this review, we first present the peptide-based tools that have helped characterize histone deacylases in vitro to date, and we discuss the new insights that nucleosome tools are providing into their recognition of histone substrates within chromatin. Then, we summarize the powerful semi-synthetic approaches that are moving forward the study of chromatin-associated factors, both in vitro by detailed single-molecule mechanistic studies, and in cells by live chromatin modification. We finally offer our perspective on how these new techniques would advance the study of histone deacylases. We envision that such studies will help elucidate the role of individual isozymes in disease and provide a platform for the development of the next generation of therapeutics.
Light‐field image super‐resolution with depth feature by multiple‐decouple and fusion module
Authors: Chan Ka‐Hou , Im Sio‐Kei
Published: January 2024

Light‐field (LF) images offer the potential to improve feature capture in live scenes from multiple perspectives, and also generate additional normal vectors for performing super‐resolution (SR) image processing. With the benefit of machine learning, established AI‐based deep CNN models for LF image SR often individualize the models for various resolutions. However, the rigidity of these approaches for actual LF applications stems from the considerable diversity in angular resolution among LF instruments. Therefore, an advanced neural network proposal is required to utilize a CNN‐based model for super‐resolving LF images with different resolutions obtained from provided features. In this work, a preprocessing to calculate the depth channel from given LF information is first presented, and then a multiple‐decouple and fusion module is introduced to integrate the VGGreNet for the LF image SR, which collects global‐to‐local information according to the CNN kernel size and dynamically constructs each view through a global view module. Besides, the generated features are transformed to a uniform space to perform final fusion, achieving global alignment for precise extraction of angular information. Experimental results show that the proposed method can handle benchmark LF datasets with various angular and different resolutions, reporting the effectiveness and potential performance of the method.
Three-dimensional time-dependent convection model for asteroseismology
Authors: Lizin S. , Dupret M.-A. , Salmon S. J. A. J. , Ludwig H.-G.
Published: January 2024

Context. Due to an ill-depicting model of the convective layers below the photosphere in 1D stellar models (structural contribution) and/or a misrepresentation of the coupling between convection and oscillations (modal contribution), a well-known deviation appears between observed and theoretical frequencies, which grows towards high frequencies; the so-called surface effects. While satisfying solutions have been found regarding the structural contribution, the accurate modeling of the modal effect still represents a challenge. Alongside the frequency, the interaction between convection and oscillations also impacts the damping rate of the modes and forms an important part of the driving mechanism behind the stellar oscillations of low-mass stars. With increasing observational capabilities at our disposal with Kepler and TESS, shortcomings in modeling constitute the main limitation to accurate seismic probing of solar-like and red giant stars.

Aims. We present the formalism of an approach that changes the current paradigm by addressing three-dimensional space. This new formalism consists in an original nonadiabatic 3D time-dependent convection model for asteroseismology.

Methods. We aim to keep the entire 3D structure of the astrophysical flow in these superficial layers in order to fully account for the nature of turbulence in our model via the use of advanced hydrodynamic simulation. We use the perturbative approach and introduce a spectral decomposition approach that results in an entirely new formalism describing standing waves in 3D. This formalism is set to solve the quasi-radial global nonadiabatic oscillation equations in a full 3D framework.

Results. Based on physical assumptions, we establish an eigenvalue problem describing the 3D quasi-radial global nonadiabatic stellar oscillation. We also provide a prescription for its numerical resolution alongside a proposed iteration method for our formalism. Finally, we derive the peculiar 3D work integral and establish the expression of the damping rate. We show how our formalism offers the possibility to probe the complex structure of stars and is able to precisely locate regions of the driving and damping of the modes as well as their physical origin.