bluuebunny/crossref_metadata_2025 huggingface dataset:
Assessing biological network dynamics: comparing numerical simulations with analytical decomposition of parameter space
Authors: Hari Kishore , Duncan William , Ibrahim Mohammed Adil , Jolly Mohit Kumar , Cummins Breschine , Gedeon Tomas
Published: July 2023

Mathematical modeling of the emergent dynamics of gene regulatory networks (GRN) faces a double challenge of (a) dependence of model dynamics on parameters, and (b) lack of reliable experimentally determined parameters. In this paper we compare two complementary approaches for describing GRN dynamics across unknown parameters: (1) parameter sampling and resulting ensemble statistics used by RACIPE (RAndom CIrcuit PErturbation), and (2) use of rigorous analysis of combinatorial approximation of the ODE models by DSGRN (Dynamic Signatures Generated by Regulatory Networks). We find a very good agreement between RACIPE simulation and DSGRN predictions for four different 2- and 3-node networks typically observed in cellular decision making. This observation is remarkable since the DSGRN approach assumes that the Hill coefficients of the models are very high while RACIPE assumes the values in the range 1-6. Thus DSGRN parameter domains, explicitly defined by inequalities between systems parameters, are highly predictive of ODE model dynamics within a biologically reasonable range of parameters.
Synthesis of a glycan hairpin
Authors: Fittolani Giulio , Tyrikos-Ergas Theodore , Poveda Ana , Yu Yang , Yadav Nishu , Seeberger Peter H. , Jiménez-Barbero Jesús , Delbianco Martina
Published: July 2023

The primary sequence of a biopolymer encodes the essential information for folding, permitting to carry out sophisticated functions. Inspired by natural biopolymers, peptide and nucleic acid sequences have been designed to adopt particular three-dimensional (3D) shapes and programmed to exert specific functions. In contrast, synthetic glycans capable of autonomously folding into defined 3D conformations have so far not been explored owing to their structural complexity and lack of design rules. Here we generate a glycan that adopts a stable secondary structure not present in nature, a glycan hairpin, by combining natural glycan motifs, stabilized by a non-conventional hydrogen bond and hydrophobic interactions. Automated glycan assembly enabled rapid access to synthetic analogues, including site-specific 13C-labelled ones, for nuclear magnetic resonance conformational analysis. Long-range inter-residue nuclear Overhauser effects unequivocally confirmed the folded conformation of the synthetic glycan hairpin. The capacity to control the 3D shape across the pool of available monosaccharides has the potential to afford more foldamer scaffolds with programmable properties and functions.
Next-generation protein-based materials capture and preserve projectiles from supersonic impacts
Authors: Doolan Jack A. , Alesbrook Luke S. , Baker Karen , Brown Ian R. , Williams George T. , Hilton Kira L. F. , Tabata Makoto , Wozniakiewicz Penelope J. , Hiscock Jennifer R. , Goult Benjamin T.
Published: July 2023

Extreme energy-dissipating materials are essential for a range of applications. The military and police force require ballistic armour to ensure the safety of their personnel, while the aerospace industry requires materials that enable the capture, preservation and study of hypervelocity projectiles. However, current industry standards display at least one inherent limitation, such as weight, breathability, stiffness, durability and failure to preserve captured projectiles. To resolve these limitations, we have turned to nature, using proteins that have evolved over millennia to enable effective energy dissipation. Specifically, a recombinant form of the mechanosensitive protein talin was incorporated into a monomeric unit and crosslinked, resulting in a talin shock-absorbing material (TSAM). When subjected to 1.5 km s−1 supersonic shots, TSAMs were shown to absorb the impact and capture and preserve the projectile.
Single multimode fibre for in vivo light-field-encoded endoscopic imaging
Authors: Wen Zhong , Dong Zhenyu , Deng Qilin , Pang Chenlei , Kaminski Clemens F. , Xu Xiaorong , Yan Huihui , Wang Liqiang , Liu Songguo , Tang Jianbin , Chen Wei , Liu Xu , Yang Qing
Published: July 2023

Super-resolution microscopy is typically not applicable to in situ imaging through a narrow channel due to the requirement for complex optics. Although multimode fibres (MMFs) have emerged as a potential platform for cost-effective and precise endoscopic imaging, they suffer from extreme sensitivity to bending and other external conditions. Here we demonstrate imaging through a single thin MMF for in vivo light-field encoded imaging with subcellular resolution. We refer to the technique as spatial-frequency tracking adaptive beacon light-field-encoded (STABLE) endoscopy. Spatial-frequency beacon tracking provides up to 1 kHz disorder tracking frequency, thus ensuring stable imaging through long-haul MMFs under fibre bending and various operating conditions. The full-vector modulation and fluorescence emission difference are combined to enhance the imaging signal-to-noise ratio and achieve a subdiffraction resolution of 250 nm. We integrate STABLE in a white-light endoscope and demonstrate cross-scale imaging in a bronchus model and in vivo imaging in mice models. The high-resolution and resilience to observation in a minimally invasive manner paves the way to the expansion of MMF in endoscopy to the study of disease mechanisms in biomedical sciences and clinical studies.
Discovery of VH domains that allosterically inhibit ENPP1
Authors: Solomon Paige E. , Bracken Colton J. , Carozza Jacqueline A. , Wang Haoqing , Young Elizabeth P. , Wellner Alon , Liu Chang C. , Sweet-Cordero E. Alejandro , Li Lingyin , Wells James A.
Published: July 2023

Ectodomain phosphatase/phosphodiesterase-1 (ENPP1) is overexpressed on cancer cells and functions as an innate immune checkpoint by hydrolyzing extracellular cyclic guanosine monophosphate adenosine monophosphate (cGAMP). Biologic inhibitors have not yet been reported and could have substantial therapeutic advantages over current small molecules because they can be recombinantly engineered into multifunctional formats and immunotherapies. Here we used phage and yeast display coupled with in cellulo evolution to generate variable heavy (VH) single-domain antibodies against ENPP1 and discovered a VH domain that allosterically inhibited the hydrolysis of cGAMP and adenosine triphosphate (ATP). We solved a 3.2 Å-resolution cryo-electron microscopy structure for the VH inhibitor complexed with ENPP1 that confirmed its new allosteric binding pose. Finally, we engineered the VH domain into multispecific formats and immunotherapies, including a bispecific fusion with an anti-PD-L1 checkpoint inhibitor that showed potent cellular activity.
Exploration of novel αβ-protein folds through de novo design
Authors: Minami Shintaro , Kobayashi Naohiro , Sugiki Toshihiko , Nagashima Toshio , Fujiwara Toshimichi , Tatsumi-Koga Rie , Chikenji George , Koga Nobuyasu
Published: July 2023

A fundamental question in protein evolution is whether nature has exhaustively sampled nearly all possible protein folds throughout evolution, or whether a large fraction of the possible folds remains unexplored. To address this question, we defined a set of rules for β-sheet topology to predict novel αβ-folds and carried out a systematic de novo protein design exploration of the novel αβ-folds predicted by the rules. The designs for all eight of the predicted novel αβ-folds with a four-stranded β-sheet, including a knot-forming one, folded into structures close to the design models. Further, the rules predicted more than 10,000 novel αβ-folds with five- to eight-stranded β-sheets; this number far exceeds the number of αβ-folds observed in nature so far. This result suggests that a vast number of αβ-folds are possible, but have not emerged or have become extinct due to evolutionary bias.
Validation and enhancement of a vocal fold medial surface 3D reconstruction approach for in-vivo application
Authors: Schlegel Patrick , Döllinger Michael , Reddy Neha K. , Zhang Zhaoyan , Chhetri Dinesh K.
Published: July 2023

In laryngeal research, studying the vertical vocal fold oscillation component is often disregarded. However, vocal fold oscillation by its nature is a three-dimensional process. In the past, we have developed an in-vivo experimental protocol to reconstruct the full, three-dimensional vocal fold vibration. The goal of this study is to validate this 3D reconstruction method. We present an in-vivo canine hemilarynx setup using high-speed video recording and a right-angle prism for 3D reconstruction of vocal fold medial surface vibrations. The 3D surface is reconstructed from the split image provided by the prism. For validation, reconstruction error was calculated for objects located at a distance of up to 15 mm away from the prism. The influence of camera angle, changing calibrated volume, and calibration errors were determined. Overall average 3D reconstruction error is low and does not exceed 0.12 mm at 5 mm distance from the prism. Influence of a moderate (5°) and large (10°) deviation in camera angle led to a slight increase in error to 0.16 mm and 0.17 mm, respectively. This procedure is robust towards changes in calibration volume and small calibration errors. This makes this 3D reconstruction approach a useful tool for the reconstruction of accessible and moving tissue surfaces.
MHD micro polar fluid flow over a stretching surface with melting and slip effect
Authors: Sharma Surbhi , Dadheech Amit , Parmar Amit , Arora Jyoti , Al-Mdallal Qasem , Saranya S.
Published: July 2023

Objective of the present analysis is to represent the phenomenon of Heat–mass transfer on MHD micro polar fluids caused by permeable and continuously stretching sheet along with slip impacts fostered in a porous medium. Consequently, the equation of energy includes the term of non-uniform heat source/sink. The equation regarding species concentration in cooperates the terms indicating order of chemical reaction to characterize the chemically reactive species. The application software MATLAB with governing syntax of bvp4c technique are employed to reduce equations of momentum, micro-rations, heat, and concentration into suitable required simplifications to derive necessary arithmetic manipulations of available non-linear equations. Various dimensionless parameters are portrayed in the available graphs with essential consequences. Analysis discovered that micro-polar fluid improves velocity and temperature profile while it suppresses micro-rations profile also magnetic parameter ($$M$$
M
) and porosity parameter ($$K_p$$

K
p

) reduces the momentum boundary layer thickness. The acquired deductions verify remarkable correspondence with already reported in an open literature.
An investigation of the flexural behaviour of large-span prestressed and steel-reinforced concrete slabs
Authors: Han Tiancheng , Liang Shuting , Zhu Xiaojun , Wang Wenkang , Yang Jian
Published: July 2023

The prestressed and steel-reinforced concrete slab (PSRCS) is an innovative composite structural member offering high load capacity and stiffness and exceptional anti-crack performance, making it a leading trend in composite structures. This paper presents the derived calculation formulas for bearing capacity, section stiffness, mid-span deflection of PSRCS. Additionally, a numerical analysis of PSRCS is conducted using ABAQUS software, with several models created to systematically investigate bearing capacity, section stiffness, anti-crack performance, and failure mode. Concurrently, PSRCS member parameters are analyzed for optimal design, and the results of finite element (FE) calculations are compared with theoretical formula calculations. The results demonstrate that PSRCS exhibits superior load capacity, section stiffness, and anti-crack performance comparing to conventional slabs. The parametric analysis offers optimal design for each parameter and presents the corresponding recommended span-to-depth ratios for various spans in PSRCS applications.
Disentangling potential genotypes for macro and micro nutrients and polymorphic markers in Chickpea
Authors: Mittal Neha , Bhardwaj Juhi , Verma Shruti , Singh Rajesh Kumar , Yadav Renu , Kaur D. , Talukdar Akshay , Yadav Neelam , Kumar Rajendra
Published: July 2023

The present investigation was conducted to assess the nutritional diverseness and identify novel genetic resources to be utilized in chickpea breeding for macro and micro nutrients. The plants were grown in randomized block design. Nutritional and phytochemical properties of nine chickpea genotypes were estimated. The EST sequences from NCBI database were downloaded in FASTA format, clustered into contigs using CAP3, mined for novel SSRs using TROLL analysis and primer pairs were designed using Primer 3 software. Jaccard’s similarity coefficients were used to compare the nutritional and molecular indexes followed by dendrograms construction employing UPGMA approach. The genotypes PUSA-1103, K-850, PUSA-1108, PUSA-1053 and the EST-SSR markers including the 5 newly designed namely ICCeM0012, ICCeM0049, ICCeM0067, ICCeM0070, ICCeM0078, SVP55, SVP95, SVP96, SVP146, and SVP217 were found as potential donor/marker resources for the macro–micro nutrients. The genotypes differed (p < 0.05) for nutritional properties. Amongst newly designed primers, 6 were found polymorphic with median PIC (0.46). The alleles per primer ranged 1 to 8. Cluster analysis based on nutritional and molecular diversities partially matched to each other in principle. The identified novel genetic resources may be used to widen the germplasm base, prepare maintainable catalogue and identify systematic blueprints for future chickpea breeding strategies targeting macro–micro nutrients.
Determining buffer conditions for downstream processing of VLP-based recombinant hepatitis B surface antigen using multimodal resins in bind-elute and flow-through purification modes
Authors: Goodarzi Maryam Moazami , Jalalirad Reza , Doroud Delaram , Hozouri Hamidreza , Aghasadeghi Mohammadreza , Paryan Mahdi
Published: July 2023

The difficulties in purification of VLP-based recombinant hepatitis B surface antigen (rHBsAg) are mainly emerged from inefficient semi-purification step plus proteins physicochemical properties and these issues make the downstream processing (DSP) very lengthy and expensive. In this study, optimization of rHBsAg (recombinantly-expressed in Pichia pastoris) DSP was performed using selection of buffering conditions in the semi-purification step. In the semi-purification optimization step, up to 73% of the protein impurities were eliminated and the utmost increase in rHBsAg purity (ca. 3.6-fold) was achieved using 20 mM sodium acetate, pH 4.5. By using rHBsAg binding and nonbinding situations obtained from the response surface plot in design of experiments (DOE), additional bind-elute and flow-through purification mode experiments were conducted and rHBsAg with high purity (near 100%) and recovery (> 83%) was achieved. Following assessment of critical quality attributes (i.e., purity, particle size distribution, host cell DNA, host cell protein, secondary structures, specific activity and relative potency), it was indicated that the characteristics of rHBsAg purified by the new DSP were similar or superior to the ones obtained from conventional DSP. The purification performance of the resin was constantly retained (97–100%) and no significant resin damage took place after 10 adsorption–elution–cleaning cycles. The new DSP developed for production of rHBsAg in this study can substitute the conventional one with granting satisfactory target protein quality, long-lasting resin efficacy, shorter and less expensive process. This process may be also employable for purification of both non-VLP- and VLP- based target proteins expressed in the yeast.
On the structure of mirrored operators obtained from optimal entanglement witnesses
Authors: Bera Anindita , Bae Joonwoo , Hiesmayr Beatrix C. , Chruściński Dariusz
Published: July 2023

Entanglement witnesses (EWs) are a versatile tool in the verification of entangled states. The framework of mirrored EW doubles the power of a given EW by introducing its twin—a mirrored EW—whereby two EWs related by mirroring can bound the set of separable states more efficiently. In this work, we investigate the relation between the EWs and its mirrored ones, and present a conjecture which claims that the mirrored operator obtained from an optimal EW is either a positive operator or a decomposable EW, which implies that positive-partial-transpose entangled states, also known as the bound entangled states, cannot be detected. This conjecture is reached by studying numerous known examples of optimal EWs. However, the mirrored EWs obtained from the non-optimal ones can be non-decomposable as well. We also show that mirrored operators obtained from the extremal decomposable witnesses are positive semi-definite. Interestingly, the witnesses that violate the well known conjecture of Structural Physical Approximation, do satisfy our conjecture. The intricate relation between these two conjectures is discussed and it reveals a novel structure of the separability problem.
The role of TLR2 in exercise-induced immunomodulation in normal weight individuals
Authors: Bahman Fatemah , AlSaeed Halemah , Albeloushi Shaima , Al-Mulla Fahd , Ahmad Rasheed , Al-Rashed Fatema
Published: July 2023

Toll-like receptors (TLRs) have been targeted for therapeutic drug development for several disorders, including cardiovascular diseases (CVD), and diabetes mellitus. Daily levels physical activity (PA) has been purported to influence the systemic circulation of cytokines, affecting the overall activation of TLRs and influencing the inflammatory milieu. Objective and self-reported daily PA was tracked in 69 normal-weight adults. Freedson's cut-offs categorized daily PA intensity into the 25th lowest, medium, and top percentiles. Monocytic TLR2 expression was quantified by flow cytometry in fresh whole blood. Cross-sectional associations between flow cytometry measured TLR2+ subsets and clinical biomarkers were evaluated. PA increased circulation of TLR2+ monocytes. TLR2 expression was adversely corelated with reduced diastolic blood pressure (DBP), triglyceride (TG), and matrix metallopeptidase 9 (MMP9) levels. However, regression analysis indicated that only TG levels were independently linked with TLR2+ subsets in circulation in active participants. Higher daily levels of physical activity are associated with improved cardiovascular blood markers and elevated circulatory monocytic TLR2+ subsets. These findings suggest that TLR2 may play a role in modulating CVD risk factors in individuals leading physically active lifestyles.
Identification of cuproptosis-related lncRNA for predicting prognosis and immunotherapeutic response in cervical cancer
Authors: Kong Xiaoyu , Xiong Yuanpeng , Xue Mei , He Jie , Lu Qinsheng , Chen Miaojuan , Li Liping
Published: July 2023

Patients diagnosed with advanced cervical cancer (CC) have poor prognosis after primary treatment, and there is a lack of biomarkers for predicting patients with an increased risk of recurrence of CC. Cuproptosis is reported to play a role in tumorigenesis and progression. However, the clinical impacts of cuproptosis-related lncRNAs (CRLs) in CC remain largely unclear. Our study attempted to identify new potential biomarkers to predict prognosis and response to immunotherapy with the aim of improving this situation. The transcriptome data, MAF files, and clinical information for CC cases were obtained from the cancer genome atlas, and Pearson correlation analysis was utilized to identify CRLs. In total, 304 eligible patients with CC were randomly assigned to training and test groups. LASSO regression and multivariate Cox regression were performed to construct a cervical cancer prognostic signature based on cuproptosis-related lncRNAs. Afterwards, we generated Kaplan–Meier curves, receiver operating characteristic curves and nomograms to verify the ability to predict prognosis of patients with CC. Genes for assessing differential expression among risk subgroups were also evaluated by functional enrichment analysis. Immune cell infiltration and the tumour mutation burden were analysed to explore the underlying mechanisms of the signature. Furthermore, the potential value of the prognostic signature to predict response to immunotherapy and sensitivity to chemotherapy drugs was examined. In our study, a risk signature containing eight cuproptosis-related lncRNAs (AL441992.1, SOX21-AS1, AC011468.3, AC012306.2, FZD4-DT, AP001922.5, RUSC1-AS1, AP001453.2) to predict the survival outcome of CC patients was developed, and the reliability of the risk signature was appraised. Cox regression analyses indicated that the comprehensive risk score is an independent prognostic factor. Moreover, significant differences were found in progression-free survival, immune cell infiltration, therapeutic response to immune checkpoint inhibitors, and IC50 for chemotherapeutic agents between risk subgroups, suggesting that our model can be well employed to assess the clinical efficacy of immunotherapy and chemotherapy. Based on our 8-CRLs risk signature, we were able to independently assess the outcome and response to immunotherapy of CC patients, and this signature might benefit clinical decision-making for individualized treatment.
Effects of strength training on functional ambulation following knee replacement: a systematic review, meta-analysis, and meta-regression
Authors: Wang Jinxiang , Zhu Ranran , Xu Xiao-ting , Liu Shuting , Li Zhenrui , Guo Chaoyang , Tao Xuchen , Qian Liang , Charles Ravon , Fang Lei
Published: July 2023

Strength training is recommended by the American Physical Therapy Association to improve muscle strength, mobility, and balance following knee replacement. Few studies have focused on the direct effects of strength training on functional ambulation, and potential dose–response relationships between strength training parameters and the effect remain unclear. The aim of this systematic review, meta-analysis, and meta-regression was to evaluate the effects of strength training on functional ambulation following knee replacement (KR). We also aimed to explore potential dose–response relationships between strength training parameters and performance in functional ambulation. A systematic literature search of eight online databases was performed on March 12, 2023, for randomized controlled trials evaluating the effects of strength training on functional ambulation by six-minute walk test (6MWT) or timed-up and go test (TUG) after KR. Data were pooled by random-effect meta-analyses and presented as weighted mean difference (WMD). A random-effect meta-regression was performed for four predetermined training parameters, namely, duration (weeks), frequency (sessions per week), volume (time per session), and initial time (after surgery) separately to explore dose–response relationships with WMD. Fourteen trials encompassing 956 participants were included in our study. Meta-analyses showed an improvement in 6MWT performance after strength training (WMD: 32.15, 95% CI 19.44–44.85) and a decrease in time to complete TUG (WMD: − 1.92, 95% CI − 3.43 to − 0.41). Meta-regression revealed a dose–response relationship only between volume and 6MWT, with a decreasing trend (P = 0.019, 95% CI − 1.63 to − 0.20). Increasing trends of improvement in 6MWT and TUG were observed with increasing training duration and frequency. A slight decreasing trend of improvement was observed in 6MWT with postponed initial time, while an opposite trend was observed in TUG. Based on existing studies, moderate-certainty evidence suggests that strength training could increase 6MWT distance, and low-certainty evidence shows that strength training could decrease the time to complete TUG after KR. Meta-regression results only suggested a dose–response relationship between volume and 6MWT with a decreasing trend.

Registration: PROSPERO: CRD42022329006.
HIV/AIDS stigma accumulation among people living with HIV: a role of general and relative minority status
Authors: Gruszczyńska Ewa , Rzeszutek Marcin
Published: July 2023

The main objective of the study was to investigate the relationship between selected sociodemographic factors (i.e. sexual orientation, gender and AIDS status), and the level of HIV/AIDS stigma among people living with HIV (PLWH). The participants were 663 adults with a medically confirmed diagnosis of HIV infection, undergoing antiretroviral treatment. Their level of HIV/AIDS stigma was assessed with the Berger HIV Stigma Scale, and relevant sociodemographic and clinical data were obtained using a self-report survey. The main effect was revealed only for sexual orientation and total stigma; those with heterosexual orientation declared higher levels of total stigma than those with other sexual orientations. For the subscales, significant results were obtained only for disclosure concerns. Namely, for the interaction of gender and sexual orientation, the highest level of disclosure stigma was declared by heterosexual women, while there was no such relationship for men. This result was further modified when AIDS diagnosis was added to the interaction. There is a cumulative effect of PLWH minority statuses, rather than main effects of each status individually. Thus, each minority status should be analysed from at least two perspectives, general (i.e., compared to the general population) and relative (i.e., compared to the population in question).
Scalable and highly selective graphene-based ion-exchange membranes with tunable permselectivity
Authors: Aixalà-Perelló Anna , Pedico Alessandro , Laurenti Marco , Fontananova Enrica , Bocchini Sergio , Ferrari Ivan Vito , Lamberti Andrea
Published: July 2023

Graphene oxide (GO) membranes have been proved to be ion-selective thanks to their oxidized functional groups, which are naturally present on its surface. This ion selectivity, together with good mechanical strength, low cost, and simple synthesis, makes GO a great alternative material to conventional costly polymers for the production of ion-exchange membranes. This work focuses on how to produce GO membranes as ion-exchange membranes with a scalable approach and tunable permselectivity. Their physicochemical properties were subsequently investigated by means of selected characterization techniques. Results showed that GO membranes present good ion selectivity and size exclusion towards monovalent cations, reaching a permselectivity of up to 96%. Interestingly, UV-light irradiation of GO membranes can also be proposed as a green reduction method. GO reduction increases the permselectivity due to both a decrease in the dimension of the nanochannels and a reduction in the swelling degree of the membranes. The addition of binders was also investigated to improve the membranes’ mechanical properties. Finally, the ionic resistance of the membranes was measured by impedance spectroscopy, achieving 4.6 Ω cm2, orders of magnitude lower than the state-of-the-art graphene oxide-based membranes.
Tumor-mediated microbiota alteration impairs synaptic tagging/capture in the hippocampal CA1 area via IL-1β production
Authors: Zhu Ying , Mei Yu , Baby Nimmi , Teo Huey Yee , Binte Hanafi Zuhairah , Mohd Salleh Siti Nazihah , Sajikumar Sreedharan , Liu Haiyan
Published: July 2023

Cancer patients often experience impairments in cognitive function. However, the evidence for tumor-mediated neurological impairment and detailed mechanisms are still lacking. Gut microbiota has been demonstrated to be involved in the immune system homeostasis and brain functions. Here we find that hepatocellular carcinoma (HCC) growth alters the gut microbiota and impedes the cognitive functions. The synaptic tagging and capture (STC), an associative cellular mechanism for the formation of associative memory, is impaired in the tumor-bearing mice. STC expression is rescued after microbiota sterilization. Transplantation of microbiota from HCC tumor-bearing mice induces similar STC impairment in wide type mice. Mechanistic study reveals that HCC growth significantly elevates the serum and hippocampus IL-1β levels. IL-1β depletion in the HCC tumor-bearing mice restores the STC. Taken together, these results demonstrate that gut microbiota plays a crucial role in mediating the tumor-induced impairment of the cognitive function via upregulating IL-1β production.
Two-dimensional non-linear hydrodynamics and nanofluidics
Authors: Trushin Maxim , Carvalho Alexandra , Castro Neto A. H.
Published: July 2023

A water monolayer squeezed between two solid planes experiences strong out-of-plane confinement effects while expanding freely within the plane. As a consequence, the transport of such two-dimensional water combines hydrodynamic and nanofluidic features, intimately linked with each other. In this paper, we propose and explicitly solve a non-linear hydrodynamic equation describing two-dimensional water flow with viscosity parameters deduced from molecular dynamic simulations. We demonstrate that the very ability of two-dimensional water to flow in short channels is governed by the second (dilatational) viscosity coefficient, leading to flow compression and velocity saturation in the high-pressure limit. The viscosity parameter values depend strongly on whether graphene or hexoganal boron nitride layers are used to confine 2D water that offers an interesting opportunity to obtain various nanofluids out of the same water molecules just by using alternate materials to fabricate the 2D channels.
Abrupt change in tropical Pacific climate mean state during the Little Ice Age
Authors: Prohaska Ana , Seddon Alistair W. R. , Meese Bernd , Willis Katherine J. , Chiang John C. H. , Sachse Dirk
Published: July 2023

The mean state of the tropical Pacific ocean-atmosphere climate, in particular its east-west asymmetry, has profound consequences for regional climates and for the El Niño/Southern Oscillation variability. Here we present a new high-resolution paleohydrological record using the stable-hydrogen-isotopic composition of terrestrial-lipid biomarkers (δDwax) from a 1,400-year-old lake sedimentary sequence from northern Philippines. Results show a dramatic and abrupt increase in δDwax values around 1630 AD with sustained high values until around 1900 AD. We interpret this change as a shift to significantly drier conditions in the western tropical Pacific during the second half of the Little Ice Age as a result of a change in tropical Pacific mean state tied to zonal sea surface temperature (SST) gradients. Our findings highlight the prominent role of abrupt shifts in zonal SST gradients on multidecadal to multicentennial timescales in shaping the tropical Pacific hydrology of the last millennium, and demonstrate that a marked transition in the tropical Pacific mean state can occur within a period of a few decades.
Large-scale omics dataset of polymer degradation provides robust interpretation for microbial niche and succession on different plastisphere
Authors: Yokoyama Daiki , Takamura Ayari , Tsuboi Yuuri , Kikuchi Jun
Published: July 2023

While biodegradable polymers have received increased attention due to the recent marine plastic problem, few studies have compared microbiomes and their degradation processes among biodegradable polymers. In this study, we set up prompt evaluation systems for polymer degradation, allowing us to collect 418 microbiome and 125 metabolome samples to clarify the microbiome and metabolome differences according to degradation progress and polymer material (polycaprolactone [PCL], polybutylene succinate-co-adipate [PBSA], polybutylene succinate [PBS], polybutylene adipate-co-terephthalate [PBAT], and poly(3-hydroxybutyrate-co-3-hydroxyhexanoate) [PHBH]). The microbial community compositions were converged to each polymer material, and the largest differences were observed between PHBH and other polymers. Such gaps were probably formed primarily by the presence of specific hydrolase genes (i.e., 3HB depolymerase, lipase, and cutinase) in the microorganisms. Time-series sampling suggested several steps for microbial succession: (1) initial microbes decrease abruptly after incubation starts; (2) microbes, including polymer degraders, increase soon after the start of incubation and show an intermediate peak; (3) microbes, including biofilm constructers, increase their abundance gradually. Metagenome prediction showed functional changes, where free-swimming microbes with flagella adhered stochastically onto the polymer, and certain microbes started to construct a biofilm. Our large-dataset-based results provide robust interpretations for biodegradable polymer degradation.
A first-principles study of quaternary thioiodides for stable lead-free solar cells
Authors: Chen Ming , Dong Xiaofeng , Luo Weidong , Fang Zhimin , Shan Zhicheng , Liu Shengzhong (Frank) , Xu Zhuo
Published: July 2023

Organic–inorganic hybrid halide perovskites have recently attracted enormous interest as photovoltaic materials because of their superior solar cell performance and straightforward fabrication.
Serum metabolomic analysis revealed potential metabolite biomarkers for diabetes mellitus with coronary heart disease
Authors: Jin Zhenning , Hu Wei , Yang Yan
Published: July 2023

IC-MS based metabolomic analysis identified signature metabolites, which may serve as biomarkers for the clinical detection of T2DM or CHD–T2DM and for the prediction of developing CHD in T2DM patients.
Blood cancer diagnosis using hyperspectral imaging combined with the forward searching method and machine learning
Authors: Chen Riheng , Luo Ting , Nie Junfei , Chu Yanwu
Published: July 2023

A rapid and high-precision blood cancer detection method based on Hyperspectral Image (HSI) using the forward search method for feature extraction to improve the accuracy of the SVM model.
Progress in the preparation and evaluation of glucose-sensitive microneedle systems and their blood glucose regulation
Authors: Wang Yu , Yu Haojie , Wang Li , Hu Jian , Feng Jingyi
Published: July 2023

Glucose-sensitive microneedle system (GSMS) as a smart strategy to treat diabetes can regulate insulin release according to the blood glucose concentration.
Low molecular weight poly((d,l)-lactide-co-caprolactone) liquid inks for diluent-free DLP printing of cell culture platforms
Authors: Ramos-Díez Sandra , Larrañaga-Jaurrieta Garazi , Iturriaga Leire , Abarrategi Ander , Camarero-Espinosa Sandra
Published: July 2023

A library of low molecular weight biocompatible inks has been developed to be used in DLP printing. The resulting inks present low viscosity and are printable without diluents or solvents, resulting in structures with high shape fidelity.
Synergistic chemo-photo anticancer therapy by using reversible Diels–Alder dynamic covalent bond mediated polyprodrug amphiphiles and immunoactivation investigation
Authors: Yan Jinhao , Jiang Wenlong , Kang Guijie , Li Qingjie , Tao Longxiang , Wang Xuefu , Yin Jun
Published: July 2023

Dual-responsive copolymers with D-A bonds could self-assemble to form nanoparticles with IR780, which possessed chemotherapy, photothermal therapy, and body immune performances.
The use of molecular electronic structure methods to investigate mechanically interlocked molecules
Authors: Orenha Renato Pereira , Caramori Giovanni Finoto , Parreira Renato Luis Tame , Munoz-Castro Alvaro
Published: July 2023

Mechanically interlocked molecules (MIMs) have been studied using molecular mechanics calculations or molecular dynamics simulations. Here, we have highlighted how molecular electronic structure methods can reveal important properties of MIMs.
New efficient pecS-n (n = 1, 2) basis sets for quantum chemical calculations of 31P NMR chemical shifts
Authors: Rusakov Yuriy Yu. , Rusakova Irina L.
Published: July 2023

New efficient pecS-n (n = 1, 2) basis sets for phosphorus atom have been generated with modern PEC method. The new basis sets are moderate in size and demonstrate very good accuracy in the quantum chemical calculations of 31P NMR chemical shifts.
Highly transferable atomistic machine-learning potentials from curated and compact datasets across the periodic table
Authors: Andolina Christopher M. , Saidi Wissam A.
Published: July 2023

Machine learning atomistic potentials (MLPs) trained using density functional theory (DFT) datasets allow for the modeling of complex material properties with near-DFT accuracy while imposing a fraction of its computational cost.
Ligand and metal-centred reactivity in 2,6-bis(imino)-1,4-dihydropyridinate Zn(ii) alkyls: the dual behaviour of an intriguing type of complex
Authors: Delgado-Collado J. M. , Gallardo-Villagrán M. , Álvarez E. , Cámpora J. , Rodríguez-Delgado A.
Published: July 2023

2,6-Bis(imino)-dihydropyridinate ligands in mononuclear organo and alkoxo-zinc compounds. When complexation chemistry mimics biological systems.
Co–P bond effect on an MOF-derived Co9S8hollow polyhedron supported Ni2P co-catalyst for efficient photocatalytic hydrogen evolution
Authors: Wang Yanxia , Hu Xiude
Published: July 2023

A novel and efficient Co9S8@Ni2P composite photocatalyst was successfully prepared by loading Ni2P on the surface of Co9S8, in which the formation of Co–P bonds accelerates electron migration and promotes photocatalytic reaction.
Diluted aqueous ionic liquid assists the acidic oxidative hydrolysis of water-soluble recalcitrant polysaccharide xanthan through structural deterioration
Authors: Liu Weiming , Zhang Liwei , Li Miao , Wang Qian , Gu Jinyun , Chen Xiaoyi , Guo Xiaoyu , Yu Zhimin , Li Xianzhen , Wang Shang , Yang Fan
Published: July 2023

Highly diluted IL assists the acidic oxidative hydrolysis of water-soluble recalcitrant polysaccharide xanthan.
Structure–activity relationships of LDH catalysts for the glucose-to-fructose isomerisation in ethanol
Authors: Karádi Krisztina , Nguyen Thanh-Truc , Ádám Adél Anna , Baán Kornélia , Sápi András , Kukovecz Ákos , Kónya Zoltán , Sipos Pál , Pálinkó István , Varga Gábor
Published: July 2023

Hydrotalcite catalysed liquid phase glucose isomerisation in EtOH.
Chlorine speciation in complex hydrocarbon matrices using GC-ICP-MS/MS
Authors: Souchon Vincent , Maleval Marc , Chainet Fabien , Lienemann Charles-Philippe
Published: July 2023

In this study, the hyphenation of gas chromatography with ICP tandem mass spectrometry (GC-ICP-MS/MS) for the analysis of volatile organochlorides in complex hydrocarbon samples is described.
Advances in electrospun chitosan nanofiber biomaterials for biomedical applications
Authors: Tamilarasi Ganesan Padmini , Sabarees Govindaraj , Manikandan Krishnan , Gouthaman Siddan , Alagarsamy Veerachamy , Solomon Viswas Raja
Published: July 2023

This review article summarises and discusses the recent developments in different biomedical applications of electrospun chitosan nanofibers.
Cationic and radical polymerization using a boron–thienothiophene–triphenylamine based D–π–A type photosensitizer under white LED irradiation
Authors: Suerkan Ali , Isci Recep , Ozturk Turan , Yagci Yusuf
Published: July 2023

A D–π–A type pull–push photosensitizer, possessing thieno[3,2-b]thiophene, triphenylamine and boron units, was synthesized and used in both free-radical and cationic photopolymerization using DPI salt under white light irritation.
A natural polymer-based hydrogel with shape controllability and high toughness and its application to efficient osteochondral regeneration
Authors: Yang Jueying , Wang Hui , Huang Weiting , Peng Kelin , Shi Rui , Tian Wei , Lin Lizhi , Yuan Jingjing , Yao Weishang , Ma Xilan , Chen Yu
Published: July 2023

A natural polymer-based hydrogel with solely physically crosslinking hierarchical chain entanglements is prepared for efficient osteochondral regeneration owing to its shape controllability and high toughness.
Engineering metal-based hydrogel-mediated tertiary lymphoid structure formation via activation of the STING pathway for enhanced immunotherapy
Authors: Jin Xiao-Kang , Liang Jun-Long , Zhang Shi-Man , Ji Ping , Huang Qian-Xiao , Qin You-Teng , Deng Xin-Chen , Liu Chuan-Jun , Zhang Xian-Zheng
Published: July 2023

A STING-activating hydrogel is developed to evoke a DC-based immune effect and facilitate the activation of the cGAS-STING and TLR9 pathways at tumor sites, further enhancing the infiltration of immune cells for the formation of TLSs.
A carbon dot-based clay nanocomposite for efficient heavy metal removal
Authors: Jlassi Khouloud , Al Ejji Maryam , Ahmed Abdelgalil Khalaf , Mutahir Hafsa , Sliem Mostafa H. , Abdullah Aboubakr M. , Chehimi Mohamed M. , Krupa Igor
Published: July 2023

Carbon dots and their derivatives with fascinating photoluminescence properties have recently attracted tremendous scientific attention.
Engineering the oxygen-evolution activity by changing the A-site rare-earth elements in RSr3Fe1.5Co1.5O10−δ (R = La, Nd, Pr) Ruddlesden–Popper perovskites
Authors: Zhu Wenyun , Chen Jiani , Liu Dongliang , Yang Guangming , Zhou Wei , Ran Ran , Yu Jie , Shao Zongping
Published: July 2023

By tuning the A-sites of RP-type perovskites to correlate their structure and physical properties with OER activities, we highlight the importance of tuning A-site elements for improving OER activities.
I2–DMSO mediated multicomponent convergent synthesis of imidazo[2,1-a]isoquinoline derivatives via a triple in situ cross-trapping strategy
Authors: Tang Yong-Xing , Zhuang Shi-Yi , Liu Jin-Yi , Zhou You , Wang Li-Sheng , Wu Yan-Dong , Wu An-Xin
Published: July 2023

An I2–DMSO mediated one-pot approach to imidazo[2,1-a]isoquinoline derivatives from readily available aryl methyl ketones and isoquinolin-1-amine has been demonstrated.
Lighting the way to diverse cyclic architectures: expanding the horizons with photogenerated ketenes in sustainable chemistry
Authors: Zuo Wei-Fang , Liu Qian , Xie Xin , Pang Qiwen , Li Wei , Peng Cheng , Li Xiang , Han Bo
Published: July 2023

Photogenerated ketenes simplify and accelerate the synthesis of diverse cyclic architectures and demonstrate their promising applications in flow chemistry.
Gingerol extract-stabilized silver nanoparticles and their applications: colorimetric and machine learning-based sensing of Hg(ii) and antibacterial properties
Authors: Plaeyao Kittiya , Kampangta Ratchaneekorn , Korkokklang Yuparat , Talodthaisong Chanon , Saenchoopa Apichart , Thammawithan Saengrawee , Latpala Krailikhit , Patramanon Rina , Kayunkid Navaphun , Kulchat Sirinan
Published: July 2023

Gin-AgNPs were synthesised using an eco-friendlier method that utilized AgNO3 and natural ginger solution. The application of Hg2+ sensing using Gin-AgNPs, real water samples Hg2+ sensing, machine learning analysis, and antibacterial activity assessment were evaluated.
Synthesis by adding CTAB and characterization of Ag@CuO@rGO nanocomposite with a novel core–shell crystal sugar structure and its application in supercapacitors
Authors: Zhang Yuxin , Li Yong , Yin Pengchong , Han Weizhong
Published: July 2023

In this study, we successfully synthesized Ag@CuO@rGO nanocomposites using AgNO3, Cu(NO)32, and NaOH as raw materials and particularly treated CTAB as a template by chemical precipitation, hydrothermal synthesis, and subsequent high-temperature calcination processes.
Colloidal self-assembly of soft neural interfaces from injectable photovoltaic microdevices
Authors: Jia Haiyan , Huang Zhangjun , Kaynak Murat , Sakar Mahmut Selman
Published: July 2023

We describe the synthesis of injectable photovoltaic microdevices and techniques to self-assemble them in situ as a route for the development of minimally invasive, flexible and personalized retinal neuroprosthetics.
Can we make color switchable photovoltaic windows?
Authors: Surel Josephine L. , Christians Jeffrey A.
Published: July 2023

Color-changing PV windows could save energy and generate electricity. A building with such windows is shown changing from tinted PV to transparent phase. This work reviews recent strategies and provides a future outlook for this technology.
Opportunities and challenges of protein-based targeted protein degradation
Authors: Shen Fangfang , Dassama Laura M. K.
Published: July 2023

Targeted protein degradation strategies employing proteins as binders for degradation targets.
Rhodium-catalyzed atroposelective access to trisubstituted olefinsviaC–H bond olefination of diverse arenes
Authors: Zhu Xiaohan , Mi Ruijie , Yin Jie , Wang Fen , Li Xingwei
Published: July 2023

C–H olefination of alkynes has been realized as an efficient approach to access axially chiral trisubstituted olefins, where two classes of arenes have been identified.
Influence of surfactant on glass transition temperature of poly(lactic-co-glycolic acid) nanoparticles
Authors: Liu Guangliang , Martinez Roberto , Bhatnagar Anika , McEnnis Kathleen
Published: July 2023

Presented is an experimental study of PVA and DMAB stabilized PLGA particles and the measurement of their Tg's with mDSC.
Substituting fossil-based with bio-based chemicals: the case of limonene as a greener pore expander for micellar templated silica
Authors: Sultan Umair , Städtke Katrin , Göpfert Andreas , Lemmen Daniel , Metwali Ezzeldin , Maiti Santanu , Schlumberger Carola , Yokosawa Tadahiro , Apeleo Zubiri Benjamin , Spiecker Erdmann , Vogel Nicolas , Unruh Tobias , Thommes Matthias , Inayat Alexandra
Published: July 2023

Limonene from citrus peel waste is applied as a renewable expander molecule for the synthesis of large-mesopore templated silica. Comparative life cycle assessment with the conventional expander TMB demonstrates the lower environmental impact.
Photothermal therapy for cancer cells using optically tunable Fe2O3@Au hexagonal nanodisks
Authors: Li Lin , Qi Fenglian , Guo Jiong , Fan Jing , Zheng Wenxiang , Ghulam Murtaza , Wang Weizhi , Meng Zihui , Qiu Lili
Published: July 2023

Anisotropic hexagonal Fe2O3@Au nanodisks (Au NDs) are prepared using a space-confined growth method and the size-tunable NDs, which thus realized the directional design of LSPR properties. The AuNDs are employed in photothermal therapy with biological compatibility and high efficacy.
Constructing a rhenium complex supported on g-C3N4 for efficient visible-light-driven photoreduction of CO2 to CO via a novel Z-scheme heterojunction
Authors: Nguyen Phuong Ngoc , Tran Trang Thanh , Thi Nguyen Quynh Anh , Kawazoe Yoshiyuki , Vattikuti S. V. Prabhakar , Le Long V. , Bui Viet Quoc , Nguyen Tuan Manh , Dang Nam Nguyen
Published: July 2023

Visible-light-driven photocatalytic CO2 reduction is a promising approach to addressing the problem of global warming and the energy crisis.
Recent progress in nonflammable electrolytes and cell design for safe Li-ion batteries
Authors: Ye Zi , Li Jiayao , Li Zhejun
Published: July 2023

Improving the safety of high-energy-density lithium-ion batteries requires the development of understanding of the mechanism, the assessment matrix and the strategies of nonflammable components.
Constructing atomic single metal Co–C3(OH)1sites with graphdiyne for zinc–air batteries
Authors: Li Meiping , Hou Zhufeng , Li Xiaodong , Huang Changshui , Lv Qing
Published: July 2023

A Co single-atom catalyst is prepared with novel Co–C3(OH)1active sites based on graphdiyne, exhibiting excellent activity for the ORR and outstanding performance in a Zn–air battery.
Mixed ionic–electronic conduction and defect chemistry of (Na0.5Bi0.5TiO3)1−x(BiCoO3)x (0 ≤ x ≤ 0.06) solid solutions
Authors: Yang Fan , Du Yunzhu , Hu Yidong , Hu Qiaodan , Wu Patrick , Sinclair Derek C.
Published: July 2023

Incorporation of BiCoO3 induces n-type electronic conduction into NBT to make it a mixed ionic-electronic conductor with high conductivity.
Revealing the onset condition of Li plating on graphite electrodes under fast-charging
Authors: Xiong Ruoyu , Yu Yue , Lv Taolin , Zhou Mengyuan , Li Longhui , Li Maoyuan , Xie Jingying , Sun Huajun , Zhang Yun , Zhou Huamin
Published: July 2023

The Li plating reaction overpotential is first measured separately by applying a single-layer particle electrode structure and demonstrated to be the onset condition of Li plating under fast charging when it drops below 0 V.