bluuebunny/crossref_metadata_2025 huggingface dataset:
Technology readiness levels for machine learning systems
Authors: Lavin Alexander , Gilligan-Lee Ciarán M. , Visnjic Alessya , Ganju Siddha , Newman Dava , Ganguly Sujoy , Lange Danny , Baydin Atílím Güneş , Sharma Amit , Gibson Adam , Zheng Stephan , Xing Eric P. , Mattmann Chris , Parr James , Gal Yarin
Published: October 2022

The development and deployment of machine learning systems can be executed easily with modern tools, but the process is typically rushed and means-to-an-end. Lack of diligence can lead to technical debt, scope creep and misaligned objectives, model misuse and failures, and expensive consequences. Engineering systems, on the other hand, follow well-defined processes and testing standards to streamline development for high-quality, reliable results. The extreme is spacecraft systems, with mission critical measures and robustness throughout the process. Drawing on experience in both spacecraft engineering and machine learning (research through product across domain areas), we’ve developed a proven systems engineering approach for machine learning and artificial intelligence: the Machine Learning Technology Readiness Levels framework defines a principled process to ensure robust, reliable, and responsible systems while being streamlined for machine learning workflows, including key distinctions from traditional software engineering, and a lingua franca for people across teams and organizations to work collaboratively on machine learning and artificial intelligence technologies. Here we describe the framework and elucidate with use-cases from physics research to computer vision apps to medical diagnostics.
Incorporating social knowledge structures into computational models
Authors: Frolichs Koen M. M. , Rosenblau Gabriela , Korn Christoph W.
Published: October 2022

To navigate social interactions successfully, humans need to continuously learn about the personality traits of other people (e.g., how helpful or aggressive is the other person?). However, formal models that capture the complexities of social learning processes are currently lacking. In this study, we specify and test potential strategies that humans can employ for learning about others. Standard Rescorla-Wagner (RW) learning models only capture parts of the learning process because they neglect inherent knowledge structures and omit previously acquired knowledge. We therefore formalize two social knowledge structures and implement them in hybrid RW models to test their usefulness across multiple social learning tasks. We name these concepts granularity (knowledge structures about personality traits that can be utilized at different levels of detail during learning) and reference points (previous knowledge formalized into representations of average people within a social group). In five behavioural experiments, results from model comparisons and statistical analyses indicate that participants efficiently combine the concepts of granularity and reference points—with the specific combinations in models depending on the people and traits that participants learned about. Overall, our experiments demonstrate that variants of RW algorithms, which incorporate social knowledge structures, describe crucial aspects of the dynamics at play when people interact with each other.
Dynamical control of quantum heat engines using exceptional points
Authors: Zhang J.-W. , Zhang J.-Q. , Ding G.-Y. , Li J.-C. , Bu J.-T. , Wang B. , Yan L.-L. , Su S.-L. , Chen L. , Nori F. , Özdemir Ş. K. , Zhou F. , Jing H. , Feng M.
Published: October 2022

A quantum thermal machine is an open quantum system coupled to hot and cold thermal baths. Thus, its dynamics can be well understood using the concepts and tools from non-Hermitian quantum systems. A hallmark of non-Hermiticity is the existence of exceptional points where the eigenvalues of a non-Hermitian Hamiltonian or a Liouvillian superoperator and their associated eigenvectors coalesce. Here, we report the experimental realization of a single-ion heat engine and demonstrate the effect of Liouvillian exceptional points on the dynamics and the performance of a quantum heat engine. Our experiments have revealed that operating the engine in the exact- and broken-phases, separated by a Liouvillian exceptional point, respectively during the isochoric heating and cooling strokes of an Otto cycle produces more work and output power and achieves higher efficiency than executing the Otto cycle completely in the exact phase where the system has an oscillatory dynamics and higher coherence. This result opens interesting possibilities for the control of quantum heat engines and will be of interest to other research areas that are concerned with the role of coherence and exceptional points in quantum processes and in work extraction by thermal machines.
p53 mutation in normal esophagus promotes multiple stages of carcinogenesis but is constrained by clonal competition
Authors: Murai Kasumi , Dentro Stefan , Ong Swee Hoe , Sood Roshan , Fernandez-Antoran David , Herms Albert , Kostiou Vasiliki , Abnizova Irina , Hall Benjamin A. , Gerstung Moritz , Jones Philip H.
Published: October 2022

Aging normal human oesophagus accumulates TP53 mutant clones. These are the origin of most oesophageal squamous carcinomas, in which biallelic TP53 disruption is almost universal. However, how p53 mutant clones expand and contribute to cancer development is unclear. Here we show that inducing the p53R245W mutant in single oesophageal progenitor cells in transgenic mice confers a proliferative advantage and clonal expansion but does not disrupt normal epithelial structure. Loss of the remaining p53 allele in mutant cells results in genomically unstable p53R245W/null epithelium with giant polyaneuploid cells and copy number altered clones. In carcinogenesis, p53 mutation does not initiate tumour formation, but tumours developing from areas with p53 mutation and LOH are larger and show extensive chromosomal instability compared to lesions arising in wild type epithelium. We conclude that p53 has distinct functions at different stages of carcinogenesis and that LOH within p53 mutant clones in normal epithelium is a critical step in malignant transformation.
Hemisphere-specific spatial representation by hippocampal granule cells
Authors: Cholvin Thibault , Bartos Marlene
Published: October 2022

The dentate gyrus (DG) output plays a key role in the emergence of spatial and contextual map representation within the hippocampus during learning. Differences in neuronal network activity have been observed between left and right CA1-3 areas, implying lateralization in spatial coding properties. Whether bilateral differences of DG granule cell (GC) assemblies encoding spatial and contextual information exist remains largely unexplored. Here, we employed two-photon calcium imaging of the left or the right DG to record the activity of GC populations over five consecutive days in head-fixed mice navigating through familiar and novel virtual environments. Imaging revealed similar mean GC activity on both sides. However, spatial tuning, context-selectivity and run-to-run place field reliability was markedly higher for DG place cells in the left than the right hemisphere. Moreover, the proportion of GCs reconfiguring their place fields between contexts was greater in the left DG. Thus, our data suggest that contextual information is differentially processed by GC populations depending on the hemisphere, with higher context discrimination in the left but a bias towards generalization in the right DG.
Cryogenic contrast-enhanced microCT enables nondestructive 3D quantitative histopathology of soft biological tissues
Authors: Maes Arne , Pestiaux Camille , Marino Alice , Balcaen Tim , Leyssens Lisa , Vangrunderbeeck Sarah , Pyka Grzegorz , De Borggraeve Wim M. , Bertrand Luc , Beauloye Christophe , Horman Sandrine , Wevers Martine , Kerckhofs Greet
Published: October 2022

Biological tissues comprise a spatially complex structure, composition and organization at the microscale, named the microstructure. Given the close structure-function relationships in tissues, structural characterization is essential to fully understand the functioning of healthy and pathological tissues, as well as the impact of possible treatments. Here, we present a nondestructive imaging approach to perform quantitative 3D histo(patho)logy of biological tissues, termed Cryogenic Contrast-Enhanced MicroCT (cryo-CECT). By combining sample staining, using an X-ray contrast-enhancing staining agent, with freezing the sample at the optimal freezing rate, cryo-CECT enables 3D visualization and structural analysis of individual tissue constituents, such as muscle and collagen fibers. We applied cryo-CECT on murine hearts subjected to pressure overload following transverse aortic constriction surgery. Cryo-CECT allowed to analyze, in an unprecedented manner, the orientation and diameter of the individual muscle fibers in the entire heart, as well as the 3D localization of fibrotic regions within the myocardial layers. We foresee further applications of cryo-CECT in the optimization of tissue/food preservation and donor banking, showing that cryo-CECT also has clinical and industrial potential.
Role of mucus-bacteria interactions in Enterotoxigenic Escherichia coli (ETEC) H10407 virulence and interplay with human microbiome
Authors: Sauvaitre Thomas , Van Landuyt Josefien , Durif Claude , Roussel Charlène , Sivignon Adeline , Chalancon Sandrine , Uriot Ophélie , Van Herreweghen Florence , Van de Wiele Tom , Etienne-Mesmin Lucie , Blanquet-Diot Stéphanie
Published: October 2022

The intestinal mucus layer has a dual role in human health constituting a well-known microbial niche that supports gut microbiota maintenance but also acting as a physical barrier against enteric pathogens. Enterotoxigenic Escherichia coli (ETEC), the major agent responsible for traveler’s diarrhea, is able to bind and degrade intestinal mucins, representing an important but understudied virulent trait of the pathogen. Using a set of complementary in vitro approaches simulating the human digestive environment, this study aimed to describe how the mucus microenvironment could shape different aspects of the human ETEC strain H10407 pathophysiology, namely its survival, adhesion, virulence gene expression, interleukin-8 induction and interactions with human fecal microbiota. Using the TNO gastrointestinal model (TIM-1) simulating the physicochemical conditions of the human upper gastrointestinal (GI) tract, we reported that mucus secretion and physical surface sustained ETEC survival, probably by helping it to face GI stresses. When integrating the host part in Caco2/HT29-MTX co-culture model, we demonstrated that mucus secreting-cells favored ETEC adhesion and virulence gene expression, but did not impede ETEC Interleukin-8 (IL-8) induction. Furthermore, we proved that mucosal surface did not favor ETEC colonization in a complex gut microbial background simulated in batch fecal experiments. However, the mucus-specific microbiota was widely modified upon the ETEC challenge suggesting its role in the pathogen infectious cycle. Using multi-targeted in vitro approaches, this study supports the major role played by mucus in ETEC pathophysiology, opening avenues in the design of new treatment strategies.
Micropattern-based nerve guidance conduit with hundreds of microchannels and stem cell recruitment for nerve regeneration
Authors: Park DoYeun , Kim Donghak , Park Su Jeong , Choi Jeong Ho , Seo Yoojin , Kim Dong-Hwee , Lee Sang-Hoon , Hyun Jung Keun , Yoo Jin , Jung Youngmee , Kim Soo Hyun
Published: October 2022

Guiding the regrowth of thousands of nerve fibers within a regeneration-friendly environment enhances the regeneration capacity in the case of peripheral nerve injury (PNI) and spinal cord injury (SCI). Although clinical treatments are available and several studies have been conducted, the development of nerve guidance conduits (NGCs) with desirable properties, including controllable size, hundreds of nerve bundle-sized microchannels, and host stem-cell recruitment, remains challenging. In this study, the micropattern-based fabrication method was combined with stem-cell recruitment factor (substance P, SP) immobilization onto the main material to produce a size-tunable NGC with hundreds of microchannels with stem-cell recruitment capability. The SP-immobilized multiple microchannels aligned the regrowth of nerve fibers and recruited the host stem cells, which enhanced the functional regeneration capacity. This method has wide applicability in the modification and augmentation of NGCs, such as bifurcated morphology or directional topographies on microchannels. Additional improvements in fabrication will advance the regeneration technology and improve the treatment of PNI/SCI.
Epigenetic divergence during early stages of speciation in an African crater lake cichlid fish
Authors: Vernaz Grégoire , Hudson Alan G. , Santos M. Emília , Fischer Bettina , Carruthers Madeleine , Shechonge Asilatu H. , Gabagambi Nestory P. , Tyers Alexandra M. , Ngatunga Benjamin P. , Malinsky Milan , Durbin Richard , Turner George F. , Genner Martin J. , Miska Eric A.
Published: October 2022

Epigenetic variation can alter transcription and promote phenotypic divergence between populations facing different environmental challenges. Here, we assess the epigenetic basis of diversification during the early stages of speciation. Specifically, we focus on the extent and functional relevance of DNA methylome divergence in the very young radiation of Astatotilapia calliptera in crater Lake Masoko, southern Tanzania. Our study focuses on two lake ecomorphs that diverged approximately 1,000 years ago and a population in the nearby river from which they separated approximately 10,000 years ago. The two lake ecomorphs show no fixed genetic differentiation, yet are characterized by different morphologies, depth preferences and diets. We report extensive genome-wide methylome divergence between the two lake ecomorphs, and between the lake and river populations, linked to key biological processes and associated with altered transcriptional activity of ecologically relevant genes. Such genes differing between lake ecomorphs include those involved in steroid metabolism, hemoglobin composition and erythropoiesis, consistent with their divergent habitat occupancy. Using a common-garden experiment, we found that global methylation profiles are often rapidly remodeled across generations but ecomorph-specific differences can be inherited. Collectively, our study suggests an epigenetic contribution to the early stages of vertebrate speciation.
Integrated host-microbe plasma metagenomics for sepsis diagnosis in a prospective cohort of critically ill adults
Authors: Kalantar Katrina L. , Neyton Lucile , Abdelghany Mazin , Mick Eran , Jauregui Alejandra , Caldera Saharai , Serpa Paula Hayakawa , Ghale Rajani , Albright Jack , Sarma Aartik , Tsitsiklis Alexandra , Leligdowicz Aleksandra , Christenson Stephanie A. , Liu Kathleen , Kangelaris Kirsten N. , Hendrickson Carolyn , Sinha Pratik , Gomez Antonio , Neff Norma , Pisco Angela , Doernberg Sarah B. , Derisi Joseph L. , Matthay Michael A. , Calfee Carolyn S. , Langelier Charles R.
Published: October 2022

We carried out integrated host and pathogen metagenomic RNA and DNA next generation sequencing (mNGS) of whole blood (n = 221) and plasma (n = 138) from critically ill patients following hospital admission. We assigned patients into sepsis groups on the basis of clinical and microbiological criteria. From whole-blood gene expression data, we distinguished patients with sepsis from patients with non-infectious systemic inflammatory conditions using a trained bagged support vector machine (bSVM) classifier (area under the receiver operating characteristic curve (AUC) = 0.81 in the training set; AUC = 0.82 in a held-out validation set). Plasma RNA also yielded a transcriptional signature of sepsis with several genes previously reported as sepsis biomarkers, and a bSVM sepsis diagnostic classifier (AUC = 0.97 training set; AUC = 0.77 validation set). Pathogen detection performance of plasma mNGS varied on the basis of pathogen and site of infection. To improve detection of virus, we developed a secondary transcriptomic classifier (AUC = 0.94 training set; AUC = 0.96 validation set). We combined host and microbial features to develop an integrated sepsis diagnostic model that identified 99% of microbiologically confirmed sepsis cases, and predicted sepsis in 74% of suspected and 89% of indeterminate sepsis cases. In summary, we suggest that integrating host transcriptional profiling and broad-range metagenomic pathogen detection from nucleic acid is a promising tool for sepsis diagnosis.
Growth temperature and chromatinization in archaea
Authors: Hocher Antoine , Borrel Guillaume , Fadhlaoui Khaled , Brugère Jean-François , Gribaldo Simonetta , Warnecke Tobias
Published: October 2022

DNA in cells is associated with proteins that constrain its structure and affect DNA-templated processes including transcription and replication. HU and histones are the main constituents of chromatin in bacteria and eukaryotes, respectively, with few exceptions. Archaea, in contrast, have diverse repertoires of nucleoid-associated proteins (NAPs). To analyse the evolutionary and ecological drivers of this diversity, we combined a phylogenomic survey of known and predicted NAPs with quantitative proteomic data. We identify the Diaforarchaea as a hotbed of NAP gain and loss, and experimentally validate candidate NAPs in two members of this clade, Thermoplasma volcanium and Methanomassiliicoccus luminyensis. Proteomic analysis across a diverse sample of 19 archaea revealed that NAP investment varies from <0.03% to >5% of total protein. This variation is predicted by growth temperature. We propose that high levels of chromatinization have evolved as a mechanism to prevent uncontrolled helix denaturation at higher temperatures, with implications for the origin of chromatin in both archaea and eukaryotes.
CRISPR-based oligo recombineering prioritizes apicomplexan cysteines for drug discovery
Authors: Benns H. J. , Storch M. , Falco J. A. , Fisher F. R. , Tamaki F. , Alves E. , Wincott C. J. , Milne R. , Wiedemar N. , Craven G. , Baragaña B. , Wyllie S. , Baum J. , Baldwin G. S. , Weerapana E. , Tate E. W. , Child M. A.
Published: October 2022

Nucleophilic amino acids are important in covalent drug development yet underutilized as anti-microbial targets. Chemoproteomic technologies have been developed to mine chemically accessible residues via their intrinsic reactivity towards electrophilic probes but cannot discern which chemically reactive sites contribute to protein function and should therefore be prioritized for drug discovery. To address this, we have developed a CRISPR-based oligo recombineering (CORe) platform to support the rapid identification, functional prioritization and rational targeting of chemically reactive sites in haploid systems. Our approach couples protein sequence and function with biological fitness of live cells. Here we profile the electrophile sensitivity of proteinogenic cysteines in the eukaryotic pathogen Toxoplasma gondii and prioritize functional sites using CORe. Electrophile-sensitive cysteines decorating the ribosome were found to be critical for parasite growth, with target-based screening identifying a parasite-selective anti-malarial lead molecule and validating the apicomplexan translation machinery as a target for ongoing covalent ligand development.
Ultrafast visualization of an electric field under the Lorentz transformation
Authors: Ota Masato , Kan Koichi , Komada Soichiro , Wang Youwei , Agulto Verdad C. , Mag-usara Valynn Katrine , Arikawa Yasunobu , Asakawa Makoto R. , Sakawa Youichi , Matsui Tatsunosuke , Nakajima Makoto
Published: October 2022

In special relativity, four-vectors, such as space–time, energy–momentum and electromagnetic potential vectors, follow the Lorentz transformation. The transformations of space–time and energy–momentum vectors have been tested by time dilation and rest mass energy experiments, respectively. However, the Lorentz transformation of electromagnetic potentials has never been directly demonstrated in experiments due to the limitations of the diagnostics. Here we show the spatiotemporal electric-field profiles around a highly energetic electron beam with a subpicosecond temporal resolution obtained by a terahertz technique based on electro-optic sampling. We observe the Coulomb field contraction in the propagation direction of the beam under the Lorentz transformation. After passing the beam through a metallic plate, we investigate the birth of the Coulomb field around it and follow the spatiotemporal evolution of the spherical wavefront, which is derived by the Liénard–Wiechert potentials. The measured electric-field profile in the far propagation distance is experimentally confirmed to coincide with the calculation of the Liénard–Wiechert potentials and the Lorentz transformation. Our ultrafast measurement of a spatiotemporal relativistic electric field provides both additional experimental evidence of special relativity and a platform for detailed experimental research of energetic charged particle beams and electromagnetic radiation physics.
Modeling gene × environment interactions in PTSD using human neurons reveals diagnosis-specific glucocorticoid-induced gene expression
Authors: Seah Carina , Breen Michael S. , Rusielewicz Tom , Bader Heather N. , Xu Changxin , Hunter Christopher J. , McCarthy Barry , Deans P. J. Michael , Chattopadhyay Mitali , Goldberg Jordan , Dobariya Saunil , Desarnaud Frank , Makotkine Iouri , Flory Janine D. , Bierer Linda M. , Staniskyte Migle ,   NYSCF Global Stem Cell Array® Team, Bauer Lauren , Brenner Katie , Buckley-Herd Geoff , DesMarteau Sean , Fenton Patrick , Ferrarotto Peter , Hall Jenna , Jacob Selwyn , Kroeker Travis , Lallos Gregory , Martinez Hector , McCoy Paul , Monsma Frederick J. , Moroziewicz Dorota , Otto Reid , Reggio Kathryn , Sun Bruce , Tibbets Rebecca , Shin Dong Woo , Zhou Hongyan , Zimmer Matthew , Noggle Scott A. , Huckins Laura M. , Paull Daniel , Brennand Kristen J. , Yehuda Rachel
Published: October 2022

Post-traumatic stress disorder (PTSD) can develop following severe trauma, but the extent to which genetic and environmental risk factors contribute to individual clinical outcomes is unknown. Here, we compared transcriptional responses to hydrocortisone exposure in human induced pluripotent stem cell (hiPSC)-derived glutamatergic neurons and peripheral blood mononuclear cells (PBMCs) from combat veterans with PTSD (n = 19 hiPSC and n = 20 PBMC donors) and controls (n = 20 hiPSC and n = 20 PBMC donors). In neurons only, we observed diagnosis-specific glucocorticoid-induced changes in gene expression corresponding with PTSD-specific transcriptomic patterns found in human postmortem brains. We observed glucocorticoid hypersensitivity in PTSD neurons, and identified genes that contribute to this PTSD-dependent glucocorticoid response. We find evidence of a coregulated network of transcription factors that mediates glucocorticoid hyper-responsivity in PTSD. These findings suggest that induced neurons represent a platform for examining the molecular mechanisms underlying PTSD, identifying biomarkers of stress response, and conducting drug screening to identify new therapeutics.
In-situ alignment of 3D printed anisotropic hard magnets
Authors: Suppan M. , Huber C. , Mathauer K. , Abert C. , Brucker F. , Gonzalez-Gutierrez J. , Schuschnigg S. , Groenefeld M. , Teliban I. , Kobe S. , Saje B. , Suess D.
Published: October 2022

Within this work, we demonstrate in-situ alignment of the easy axis single-crystal magnetic particles inside a polymer matrix using fused filament fabrication. Two different magnetic materials are investigated: (i) Strontium hexaferrite inside a PA6 matrix, fill grade: 49 vol% and (ii) Samarium iron nitride inside a PA12 matrix, fill grade: 44 vol%. In the presence of the external alignment field, the strontium hexaferrite particles inside the PA6 matrix can be well aligned with a ratio of remnant magnetization to saturation magnetization in an easy axis of 0.7. No significant alignment for samarium iron nitride could be achieved. The results show the feasibility to fabricate magnets with arbitrary and locally defined easy axis using fused filament fabrication since the permanent magnets (or alternatively an electromagnet) can be mounted on a rotatable platform.
Effect study of heat treatment on tensile properties of coarse sandstone
Authors: Yang Yushun , Wei Sijiang , Zhang Jihua , Wu Jingke , Zhang Chunlei
Published: October 2022

Brazilian split experiments were carried out on coarse sandstone, obtained from a coal seam roof passed by the Shihuoshan tunnel in Xinjiang, and treated at different temperatures (room temperature 25 °C and high temperature 100 °C ~ 900 °C). The physical and mechanical characteristics of the samples were studied. The results showed that: after heat treatment, the color of the coarse sandstone samples gradually changed from dark gray to brownish red-pink; the higher the treatment temperature was, the darker the sample color. Microcracks and mineral composition changes occured in the coarse sandstone samples after heat treatment, which decreased the longitudinal wave velocity of the samples. The longitudinal wave velocity of the coarse sandstone samples decreased as a quadratic function of the treatment temperature. With the increase in longitudinal wave velocity, the tensile strength of the samples first increased and then decreased, changing as a quadratic function relationship. After heat treatment, the tensile stress–strain curve of the coarse sandstone could be divided into compaction, elasticity, plasticity, and failure stages. The energy was continuously accumulated in the coarse sandstone before its failure, and it was released suddenly after the failure. With increasing treatment temperature, the cumulative energy in the prepeak stages first increased and then decreased, reaching a maximum value at 500 °C. The prepeak energy and tensile strength of the coarse sandstone samples satisfied a linear function fitting relationship, indicating that a higher tensile strength in the coarse sandstone, led to more accumulated energy in the samples.
Centre of pressure during walking after unilateral transfemoral amputation
Authors: Ichimura Daisuke , Hisano Genki , Murata Hiroto , Kobayashi Toshiki , Hobara Hiroaki
Published: October 2022

Lower-limb amputation imposes a health burden on amputees; thus, gait assessments are required prophylactically and clinically, particularly for individuals with unilateral transfemoral amputation (UTFA). The centre of pressure (COP) during walking is one of the most useful parameters for evaluating gait. Although superimposed COP trajectories reflect the gait characteristics of individuals with neurological disorders, the quantitative characteristics based on the COP trajectories of individuals with UTFA remain unclear. Thus, these COP trajectories were investigated across a range of walking speeds in this study. The COP trajectories were recorded on a split-belt force-instrumented treadmill at eight walking speeds. Asymmetry and variability parameters were compared based on the COP trajectories of 25 individuals with UTFA and 25 able-bodied controls. The COP trajectories of the individuals with UTFA were significantly larger in lateral asymmetry and variability but did not show significant differences in anterior–posterior variability compared with those of the able-bodied controls. Further, the individuals with UTFA demonstrated larger lateral asymmetry at lower speeds. These results suggest that (1) individuals with UTFA adopt orientation-specific balance control strategies during gait and (2) individuals with UTFA could also be exposed to a higher risk of falling at lower walk speeds.
Dynamic econometric analysis on influencing factors of production efficiency in construction industry of Guangxi province in China
Authors: Ouyang Ting , Liu Fengtao , Huang Bingzhang
Published: October 2022

China's construction industry has assumed an important role in China's urbanization process, improving China's urban landscape and the level of national production and living facilities, but the productivity of the construction industry in some regions of China is still at a relatively low level. Taking the construction industry in Guangxi province in southwest China as an example, this paper analyzes the relevant indexes affecting the total factor productivity level of the regional construction industry and composes the statistical relationships among the indexes using dynamic measurement methods, and obtains that: (1) The number of employees, enterprises, labor productivity and construction profit have positive influence on the total factor productivity of Guangxi construction industry, but the improvement of regional construction gross product does not drive the improvement of technical equipment rate; (2) There is a dynamic equilibrium relationship between input and output indicators of total factor productivity of Guangxi construction industry, and the positive driving effect of output indicators on input indicators is not obvious; the influence of input indicators on output indicators is greater, and the positive influence is more. Accordingly, this paper also puts forward corresponding suggestions to promote the technical production level of Guangxi's construction industry.
Novel insights into the geochemical evaluation of polymer drive composition on surfactant retention in carbonates using the surface complexation modeling
Authors: Khurshid Ilyas , Afgan Imran
Published: October 2022

Surfactant-polymer (SP) flooding is considered an efficient technique to increase the recovery of oil, especially from carbonates reservoirs, because of their complex nature. The objective of this study is to analyze the effect of polymer drive composition on surfactant retention. We developed a geochemical model that uses various surface complexation reactions at the mineral/brine interface, oil/brine interface, surfactant/brine interface, and oil/surfactant interface. We also incorporated four new surface complexation reactions that honor oil/surfactant geochemical interaction to determine the influence of polymer composition on surface retention for the first time. Then we validated the developed geochemical model against coreflooding experimental data. Additionally, we investigated the influence of various parameters of polymer drive on surface retention under high temperature and salinity using the suggested surface complexation model. The findings showed that our surface complexation model can estimate surfactant retention and its concentration in the effluent with a certain accuracy during polymer drive. The developed geochemical model is validated against single-phase and two-phase coreflooding experimental data. The findings revealed that for a more representative and accurate estimation of surfactant retention in chemical flooding, it is important to consider the oil/surfactant surface complexation reactions. Moreover, the detailed and comprehensive analysis showed that with the increase in temperature of the polymer drive, the retention of surfactant increases, and its concentration in the effluent decreases. The latter shows that surfactant retention is a more chemical process as opposed to physio-retention. It is also shown that the injection of a specific composition of polymer drive after a surfactant slug could decrease the surfactant retention, which is related to the force of repulsion between the ionic species and the rock surface. Moreover, the effect of hard ions (calcium and magnesium) in polymer drive is significant where the increase in the concentration of hard ions increases the retention of surfactant. Furthermore, it is important to mention that the lowest level of surfactant retention was achieved through a certain composition of polymer drive, thus the polymer solution dilution is not an effective approach. This is the first study to test a novel formulation of surface complexation modeling that considers the oil/surfactant effect on surfactant retention corresponding to the composition of polymer drive. The suggested framework to determine surfactant retention is conducted for harsh reservoir conditions of temperature and salinity and suggests that the surface complexation reactions for all rock-forming minerals must be considered.
Physicochemical, structural analysis of coal discards (and sewage sludge) (co)-HTC derived biochar for a sustainable carbon economy and evaluation of the liquid by-product
Authors: Kahilu Gentil Mwengula , Bada Samson , Mulopo Jean
Published: October 2022

This study focused on the hydrothermal treatment (HTC) of coal tailings (CT) and coal slurry (CS) and the co-hydrothermal treatment (Co-HTC) of CT, CS and sewage sludge to assess the potential for increasing the carbon content of the hydrochar produced as an enabler for a sustainable carbon economy. The optimal combination methodology and response surface methodology were used to study the relationship between the important process parameters, namely temperature, pressure, residence time, the coal-to-sewage-sludge ratio, and the carbon yield of the produced hydrochar. The optimized conditions for hydrochar from coal tailing (HCT) and hydrochar from coal slurry (HCS) (150 °C, 27 bar, 95 min) increased fixed carbon from 37.31% and 53.02% to 40.31% and 57.69%, respectively, the total carbon content improved from 42.82 to 49.80% and from 61.85 to 66.90% respectively whereas the ash content of coal discards decreased from 40.32% and 24.17% to 38.3% and 20.0% when compared CT and CS respectively. Optimized Co-HTC conditions (208 °C, 22.5bars, and 360 min) for Hydrochar from the blend of coal discards and sewage sludge (HCB) increased the fixed carbon on a dry basis and the total carbon content from 38.67% and 45.64% to 58.82% and 67.0%, when compared CT and CS respectively. Carbonization yields for HCT, HCS, and HCB were, respectively, 113.58%, 102.42%, and 129.88%. HTC and Co-HTC increase the calorific value of CT and CS, to 19.33 MJ/kg, 25.79 MJ/kg, respectively. The results further show that under Co-HTC conditions, the raw biomass undergoes dehydration and decarboxylation, resulting in a decrease in hydrogen from 3.01%, 3.56%, and 3.05% to 2.87%, 2.98%, and 2.75%, and oxygen from 8.79%, 4.78, and 8.2% to 5.83%, 2.75%, and 6.00% in the resulting HCT, HCS, and HCB, respectively. HTC and Co-HTC optimal conditions increased the specific surface area of the feedstock from 6.066 m2/g and 6.37 m2/g to 11.88 m2/g and 14.35 m2/g, for CT and CS, respectively. Total pore volume rose to 0.071 cm3/g from 0.034 cm3/g, 0.048 cm3/g, and 0.09 cm3/g proving the ability of HTC to produce high-quality hydrochar from coal discards alone or in conjunction with sewage sludge as precursors for decontamination of polluted waters, soil decontamination applications, solid combustibles, energy storage, and environmental protection.
Recent frontiers of climate changes in East Asia at global warming of 1.5°C and 2°C
Authors: You Qinglong , Jiang Zhihong , Yue Xu , Guo Weidong , Liu Yonggang , Cao Jian , Li Wei , Wu Fangying , Cai Ziyi , Zhu Huanhuan , Li Tim , Liu Zhengyu , He Jinhai , Chen Deliang , Pepin Nick , Zhai Panmao
Published: October 2022

East Asia is undergoing significant climate changes and these changes are likely to grow in the future. It is urgent to characterize both the mechanisms controlling climate and the response of the East Asian climate system at global warming of 1.5 and 2 °C above pre-industrial levels (GW1.5 and GW2 hereafter). This study reviews recent studies on East Asian climate change at GW1.5 and GW2. The intensity and variability of the East Asian summer monsoon are expected to increase modestly, accompanied by an enhancement of water vapor transport. Other expected changes include the intensification of the Western Pacific Subtropical High and an intensified and southward shift of the East Asian jet, while the intensity of the East Asian winter monsoon is projected to reduce with high uncertainty. Meanwhile, the frequency of ENSO may increase in a warming world with great uncertainty. Significant warming and wetting occur in East Asia, with more pronounced intensity, frequency, and duration of climate extremes at GW2 than that at GW1.5. The fine structure of regional climate changes and the presence and location of various warming hotspots, however, show substantial divergence among different model simulations. Furthermore, the Asian climate responses can differ substantially between the transient and stabilized GW1.5 and GW2, which has important implications for emission policies. Thus, to better plan effective mitigation and adaptation activities, further research including an in-depth exploration of the divergent responses in transient versus stabilized scenarios, the quantification of future projection uncertainties, and improvements of the methods to reduce model uncertainties are required.
Information decay and enzymatic information recovery for DNA data storage
Authors: Meiser Linda C. , Gimpel Andreas L. , Deshpande Tejas , Libort Gabriela , Chen Weida D. , Heckel Reinhard , Nguyen Bichlien H. , Strauss Karin , Stark Wendelin J. , Grass Robert N.
Published: October 2022

Synthetic DNA has been proposed as a storage medium for digital information due to its high theoretical storage density and anticipated long storage horizons. However, under all ambient storage conditions, DNA undergoes a slow chemical decay process resulting in nicked (broken) DNA strands, and the information stored in these strands is no longer readable. In this work we design an enzymatic repair procedure, which is applicable to the DNA pool prior to readout and can partially reverse the damage. Through a chemical understanding of the decay process, an overhang at the 3’ end of the damaged site is identified as obstructive to repair via the base excision-repair (BER) mechanism. The obstruction can be removed via the enzyme apurinic/apyrimidinic endonuclease I (APE1), thereby enabling repair of hydrolytically damaged DNA via Bst polymerase and Taq ligase. Simulations of damage and repair reveal the benefit of the enzymatic repair step for DNA data storage, especially when data is stored in DNA at high storage densities (=low physical redundancy) and for long time durations.
The roles of two extracellular loops in proton sensing and permeation in human Otop1 proton channel
Authors: Li Bin , Wang Yan , Castro Alexis , Ng Courtney , Wang Zhifei , Chaudhry Haroon , Agbaje Zainab , Ulloa Gabriella A. , Yu Yong
Published: October 2022

Otopetrin (Otop) proteins were recently found to function as proton channels, with Otop1 revealed to be the sour taste receptor in mammals. Otop proteins contain twelve transmembrane segments (S1-S12) which are divided into structurally similar N and C domains. The mechanisms by which Otop channels sense extracellular protons to initiate gating and conduct protons once the channels are activated remains largely elusive. Here we show that two extracellular loops are playing key roles in human Otop1 channel function. We find that residue H229 in the S5-S6 loop is critical for proton sensing of Otop1. Further, our data reveal that the S11-12 loop is structurally and functionally essential for the Otop1 channel and that residue D570 in this loop regulates proton permeation into the pore formed by the C domain. This study sheds light on the molecular mechanism behind the structure and function of this newly identified ion channel family.
Materials discovery of ion-selective membranes using artificial intelligence
Authors: Maleki Reza , Shams Seyed Mohammadreza , Chellehbari Yasin Mehdizadeh , Rezvantalab Sima , Jahromi Ahmad Miri , Asadnia Mohsen , Abbassi Rouzbeh , Aminabhavi Tejraj , Razmjou Amir
Published: October 2022

Significant attempts have been made to improve the production of ion-selective membranes (ISMs) with higher efficiency and lower prices, while the traditional methods have drawbacks of limitations, high cost of experiments, and time-consuming computations. One of the best approaches to remove the experimental limitations is artificial intelligence (AI). This review discusses the role of AI in materials discovery and ISMs engineering. The AI can minimize the need for experimental tests by data analysis to accelerate computational methods based on models using the results of ISMs simulations. The coupling with computational chemistry makes it possible for the AI to consider atomic features in the output models since AI acts as a bridge between the experimental data and computational chemistry to develop models that can use experimental data and atomic properties. This hybrid method can be used in materials discovery of the membranes for ion extraction to investigate capabilities, challenges, and future perspectives of the AI-based materials discovery, which can pave the path for ISMs engineering.
Global changes alter the amount and composition of land carbon deliveries to European rivers and seas
Authors: Zhang Haicheng , Lauerwald Ronny , Ciais Philippe , Van Oost Kristof , Guenet Bertrand , Regnier Pierre
Published: October 2022

Lateral carbon transfer along the land-ocean continuum is a key component of global carbon cycle, yet its response to global change is poorly quantified. Here, we use a land-surface model to simulate vertical (soil-plant-atmosphere) and lateral (land-river-ocean) carbon exchanges in Europe between 1901–2014 and investigate the effect of atmospheric carbon dioxide, climate and land use changes on lateral carbon transfer. We find that global change during 1901–2014 led to a significant increase in the total terrestrial carbon delivery to European rivers (33% increase) and to the sea (20% increase). Carbon delivery increased in the dissolved phase and decreased in the particulate phase. Climate change, increased atmospheric carbon dioxide, and land-use change explain 62%, 36% and 2% of the temporal change in European lateral carbon transfer during the study period, respectively. Our findings suggest that redistribution of soil carbon due to lateral carbon transfer induced a 5% reduction in the net land carbon sink in Europe.
A grazing-driven positive nutrient feedback loop and active sexual reproduction underpin widespread Noctiluca green tides
Authors: Luo Hao , Wang Jingtian , Goes Joaquim I , Gomes Helga do R , Al-Hashmi Khalid , Tobias Craig , Koerting Claudia , Lin Senjie
Published: October 2022

The mixoplankton green Noctiluca scintillans (gNoctiluca) is known to form extensive green tides in tropical coastal ecosystems prone to eutrophication. In the Arabian Sea, their recent appearance and annual recurrence have upended an ecosystem that was once exclusively dominated by diatoms. Despite evidence of strong links to eutrophication, hypoxia and warming, the mechanisms underlying outbreaks of this mixoplanktonic dinoflagellate remain uncertain. Here we have used eco-physiological measurements and transcriptomic profiling to ascribe gNoctiluca’s explosive growth during bloom formation to the form of sexual reproduction that produces numerous gametes. Rapid growth of gNoctiluca coincided with active ammonium and phosphate release from gNoctiluca cells, which exhibited high transcriptional activity of phagocytosis and metabolism generating ammonium. This grazing-driven nutrient flow ostensibly promotes the growth of phytoplankton as prey and offers positive support successively for bloom formation and maintenance. We also provide the first evidence that the host gNoctiluca cell could be manipulating growth of its endosymbiont population in order to exploit their photosynthetic products and meet critical energy needs. These findings illuminate gNoctiluca’s little known nutritional and reproductive strategies that facilitate its ability to form intense and expansive gNoctiluca blooms to the detriment of regional water, food and the socio-economic security in several tropical countries.
Carbon coated titanium dioxide (CC-TiO2) as an efficient material for photocatalytic degradation
Authors: Kumar Rahul , Choudhary Raveena , Kolay Santa , Pandey O. P. , Singh Kulvir , Bhargava Parag
Published: October 2022

The proposed mechanism for the degradation of dye molecules.
A robust colorimetric aptasensor for the label-free detection of marine toxins based on tyrosine-capped gold nanoparticles
Authors: Kong Liubing , Wang Xinyi , Ma Chiyu , Zhou Shuqi , Sun Xianyou , Jiang Deming , Wang Tianxing , Wan Hao , Wang Ping
Published: October 2022

Tyrosine-capped AuNPs decrease the interaction between targets and AuNPs, presenting better robustness than traditional Cit-AuNPs. Utilizing the superior features, a label-free aptasensor is developed for marine toxin detection for the first time.
Reference material of Prussian blue nanozymes for their peroxidase-like activity
Authors: Dong Haijiao , Wang Guancheng , Feng Kaizheng , Wu Xiaohan , Fan Yaoyao , Zhang Wei , Ma Ming , Gu Ning , Zhang Yu
Published: October 2022

The development process of a Prussian blue nanozyme certified reference material for peroxidase-like activity.
The highly sensitive “turn-on” detection of morin using fluorescent nitrogen-doped carbon dots
Authors: Guo Jianhua , Lu Wenjing , Meng Yating , Liu Yang , Dong Chuan , Shuang Shaomin
Published: October 2022

Graphic diagram of the synthesis of the N-CDs and the N-CDs based fluorescent sensor for the determination of morin.
Reliable determination of the main metabolites of 2-phenoxyethanol in human blood and urine using LC-MS/MS analysis
Authors: Jäger Thomas , Eckert Elisabeth , Leibold Edgar , Bader Michael
Published: October 2022

2-Phenoxyethanol (PhE) is used as a broad-spectrum preservative in several consumer products like cosmetics and cleaning agents.
Development and optimization of an ocular hydrogel adhesive patch using definitive screening design (DSD)
Authors: Gholizadeh Shima , Chen Xi , Yung Ann , Naderi Amirreza , Ghovvati Mahsa , Liu Yangcheng , Farzad Ashkan , Mostafavi Azadeh , Dana Reza , Annabi Nasim
Published: October 2022

Bioadhesive hydrogel patches based on chemically modified photocrosslinkable polymers with specific physicochemical properties for sealing and repair of ocular injuries.
Selective photocatalytic CO2 reduction to CH4 over metal-free porous polyimide in the solid–gas mode
Authors: Shit Subhash Chandra , Powar Niket S. , Kalita Priyanka , Paul Ratul , Xu Shaojun , Jung Jin-Woo , Cho Chang-Hee , In Su-Il , Mondal John
Published: October 2022

A metal-free donor–acceptor combined conjugated porous polyimide (PeTt–POP) photocatalyst exhibited visible-light driven photocatalytic CO2 reduction to CH4 in the gas–solid mode.
Anthraquinone-intercalated V2O5 with Al3+ for superior zinc-ion batteries: reversible transformation between disorder and order
Authors: Li Kai , Lv Jia , Cao Tong , Gong Yun , Zhang Da Liang
Published: October 2022

Oxygen-deficient anthraquinone (AQ)-intercalated vanadium oxide displays an ultralong lifespan in the electrolyte with Al3+ due to the dual-pillar of AQ/Al3+ and reversible disorder–order conversion on the (00l) facets.
The effect of halides and coordination mode of 4-amino-2,1,3-benzothiadiazole on the luminescence properties of its Zn complexes
Authors: Pylova Ekaterina K. , Khisamov Radmir M. , Bashirov Denis A. , Sukhikh Taisiya S. , Konchenko Sergey N.
Published: October 2022

Electronic and stereochemical features of halide co-ligands affect the photophysical properties of novel coordination compounds with benzothiadiazole.
Mechanisms for enhancing interfacial phonon thermal transport by large-size nanostructures
Authors: Yin Ershuai , Li Qiang , Lian Wenlei
Published: October 2022

Mechanisms for enhancing interfacial phonon transport by large-size nanostructures are revealed by a novel phonon thermal transport model.
Coupled proton vibrations between two weak acids: the hinge complex between formic acid and trifluoroethanol
Authors: Schweer Sophie M. , Nejad Arman , Suhm Martin A.
Published: October 2022

Raman and FTIR spectra of an acid–alcohol complex show complementary signatures from acidic and alcoholic OH stretching, proving its existence.