Structural Differences Research Articles

Gd(HB-DO3A)]: Equilibrium, Dissociation Kinetic and Structural Differences in a Simple Homolog of [Gd(HP-DO3A)] (Prohance®).

[Gd(HP-DO3A)] (gadoteridol) as an active compound of ProHance® is a widely employed contrast agent in clinical MRI scans in the last 30 years. Recent concerns about the long-term retention of gadolinium-based contrast agents (GBCAs) led to a deeper investigation of the structural features underlying the integrity of the paramagnetic metal complex. Several human and nonclinical studies have noted marked differences among the macrocyclic GBCAs, with the least retention of Gd traces and most rapid elimination consistently being reported for [Gd(HP-DO3A)]. It was deemed of interest to assess how minor structural/electronic changes associated to the ligand structure may affect basic properties of the metal complex with several [Gd(HP-DO3A)] analogues synthesized and characterized in the last years. We recently reported that the closest homolog of [Gd(HP-DO3A)], i. e.: [Gd(HB-DO3A)], in which a (±)-2-hydroxy-1-propyl pendant arm is replaced by a (±)-2-hydroxy-1-butyl moiety, showed a significantly different retention behaviour in the model interaction with collagen, despite the apparently very minor structural difference. In this paper we report a comprehensive study of the structural, thermodynamic, kinetic and relaxation properties of [Gd(HB-DO3A)], compared to the parent [Gd(HP-DO3A)] and to other closely related macrocyclic GBCAs to assess whether very minor structural changes can modulate the physico-chemical properties of Gd3+ complexes.

Evaluating dynamics in affect structure with latent Markov factor analysis.

In intensive longitudinal research, researchers typically consider the structure of affect to be stable across individuals and contexts. Based on an assumed theoretical structure (e.g., one bipolar or two separate positive and negative affect constructs), researchers create affect scores from items (e.g., sum or factor scores) and use them to examine the dynamics therein. However, researchers usually ignore that the affect structure itself is dynamic and varies across individuals and contexts. Understanding these dynamics provides valuable insights into individuals' affective experiences. This study uses latent Markov factor analysis (LMFA) to study what affect structures underlie individuals' responses, how individuals transition between structures, and whether their individual transition patterns differ. Moreover, we explore whether the intensity of negative events and the personality trait neuroticism relate to momentary transitions and individual differences in transition patterns, respectively. Applying LMFA to experience sampling data (N = 153; age: mean = 22; SD = 7.1; range = 17-66), we identified two affect structures-one with three and one with four dimensions. The main difference was the presence of negative emotionality, and the affect dimensions became more inversely related when the affect structure included negative emotionality. Moreover, we identified three latent subgroups that differed in their transition patterns. Higher negative event intensity increased the probability of adopting an affect structure with negative emotionality. However, neuroticism was unrelated to subgroup-membership. Summarized, we propose a way to incorporate contextual and individual differences in affect structure, contributing to advancing the theoretical basis of affect dynamics research. (PsycInfo Database Record (c) 2024 APA, all rights reserved).

CHARACTERISTICS OF INTRAHEPATIC BILE DUCT IN HUMANS AND MAMMALS WITH DIFFERENT TYPES OF NUTRITION

Bile acids are the main component of the content of the bile ducts and ensure the rate of water entry into the bile ducts, and therefore the rate of primary bile formation. Regulation of the fl ow of bile acids into the ducts through the appropriate transport systems is responsible for the intensity of bile secretion. These regulators are mainly bile acids themselves, which can modulate the function of bile acid transporters by two main mechanisms. Acute changes in the functional activity of membrane bile acid transporters occur mainly through post-transcriptional mechanisms, while chronic adaptive responses are realized by regulating their transcription.The aim of the study was to investigate the structural organization of intrahepatic bile ducts in humans and mammals in relation to the type of diet.Material and methods. The studies were conducted on the livers of a pig, a fox, a sheep, which were selected from the same breed, aged 1 year, and humans aged 50-60 years. The walls of intrahepatic bile ducts were studied. Paraffi n blocks were made according to the generally accepted method. Hematoxylin- eosin staining was used. Microphotography was performed with a Micromed XS-5510 microscope using a DCM 900 microphotomount. Processing of the obtained photos was performed using the TSView program. Processing of the obtained morphometric parameters was carried out according to the generally accepted rules of variation statistics. Using Microsoft Excel 2019 software based on the Windows 10 cooperative system. The results are presented as the mean value of the trait (M) and standard deviation (SD) for each sample or as a percentage increase compared to the control. The nonparametric Mann- Whitney test was used to determine the statistical signifi cance of intergroup diff erences, which was considered statistically signifi cant at P<0.05.Results. In the study of histological specimens, we found that the mucous membrane of the intrahepatic bile ducts diff ers depending on the type of meal. The results showed that mammals with a carnivorous and herbivorous meal had a more complex structure of the inner lining of the bile ducts compared to omnivorous mammals and humans. Thus, the revealed structural diff erences in the bile ducts of humans and mammals, in our opinion, indicate an adaptive restructuring and functioning of epithelial cells, which were caused by species- specifi c features of the diet.

A First‐Principles Investigation of Monolayer MoS2 Doped with Mn and V as an Excellent NO2 Sensor with High Selectivity

This article conducts a comprehensive investigation into the adsorption properties of both pristine MoS2 monolayers and those doped with Mn and V, wherein these dopants replace Mo atoms. By the first‐principles calculations, the research reveals a noteworthy reduction in the adsorption energy of NO2 on Mn‐doped and V‐doped MoS2 monolayers compared to pure MoS2 monolayers. Specifically, at the most favorable adsorption site, the adsorption energy decreases from −5.83 to 5.908 eV for Mn‐doped MoS2 and from −5.58 to −6.17 eV for V‐doped MoS2. Furthermore, computations of the band structure, work function, and charge density difference highlight a significant degree of charge transfer and coexistence of electrons within these systems. Additionally, post‐adsorption of NO2 molecules, a distinct shift in the density of states (DOS) toward lower energy states is observed at the adsorption sites of both MoS2/Mn and MoS2/V monolayers, underscoring their exceptional sensitivity in detecting NO2. In summary, these results demonstrate the substantial potential of Mn‐doped and V‐doped MoS2 monolayers as highly sensitive materials for NO2 detection. Their lower adsorption energies and noteworthy shifts in DOS following NO2 adsorption enhance their capabilities as NO2 sensors.

Theragnosis using fluorescence: A review

Theragnosis is a novel concept in which diagnosis and treatment, along with the monitoring of the therapy given are done. In dentistry, this concept is applied by utilizing the inherent property of the tooth, which exhibits fluorescence. There is a difference in diseased and sound tooth structure along with any bacterial by-product exhibiting fluorescence. Thus, the present review aims to briefly describe the theragnostic approaches in dentistry. With advancements in the diagnostics aids for better therapy and monitoring simultaneously, a revolution can be made in the field of dentistry. Theragnosis, being a novel concept, gives a way for diagnosis, therapy, and monitoring simultaneously allowing for any alteration in the treatment regimen based on patient response. This review would help the clinicians to adopt one of the newer technologies available in the field of dentistry for diagnosis, treatment planning and also monitor the response.

Resting-state functional connectivity and structural differences between smokers and healthy non-smokers

Previous studies have shown an association between cigarette use and altered resting-state functional connectivity (rsFC) in many large-scale networks, sometimes complemented by measures of cortical atrophy. In this study, we aimed to further explore the neural differences between smokers and healthy non-smokers through the integration of functional and structural analyses. Imaging data of fifty-two smokers and forty-five non-smokers were analyzed through an independent component analysis for group differences in rsFC. Smokers showed lower rsFC within the dorsal attention network (DAN) in the left superior and middle frontal gyrus and left superior division of the lateral occipital cortex compared to non-smokers; moreover, cigarette use was found to be associated with reduced grey matter volume in the left superior and middle frontal gyrus and right orbitofrontal cortex, partly overlapping with functional findings. Within smokers, daily cigarette consumption was positively associated with increased rsFC within the cerebellar network and the default mode network and decreased rsFC within the visual network and the salience network, while carbon monoxide level showed a positive association with increased rsFC within the sensorimotor network. Our results suggest that smoking negatively impacts rsFC within the DAN and that changes within this network might serve as a circuit-based biomarker for structural deficits.

Comparative analysis of the clinical features of nonvalvular atrial fibrillation among Tibetan, Han, and Hui patients in Qinghai Province, China

BackgroundGlobal nonvalvular AF rises, impacting health severely. In Qinghai, China's diverse setting, studying AF among varied ethnic groups is crucial ObjectivesThe purpose of this study was to compares cardiac features in AF among Tibetan, Han, and Hui patients to develop tailored prevention and treatment strategies for this region, the goal was to enhance the understanding of AF and provide an empirical basis for developing prevention and treatment strategies specific to this region MethodsThis study included a total of 3445 Tibetan, Han, and Hui patients diagnosed with nonvalvular atrial fibrillation and treated at the Qinghai Cardiovascular and Cerebrovascular Specialist Hospital, China, between January 2019 and January 2021. We analyzed the differences in cardiac structure, comorbidities, and other influencing factors among the different ethnic groups ResultsWe found significant differences in gender, age, smoking history, lone atrial fibrillation, left heart failure, dilated cardiomyopathy, and diabetes between Tibetan, Han, and Hui patients (P < 0.05). Tibetan, Han, and Hui patients also differed with regard to left ventricular end-diastolic volume, left ventricular ejection fraction, fractional shortening, NT-proBNP, glycated hemoglobin, red blood cell distribution width, platelet count, platelet hematocrit, platelet distribution width, homocysteine (Hcy), C-reactive protein, and superoxide dismutase (SOD) (P < 0.05) ConclusionOur study revealed variations in comorbidities, cardiac structure, and blood indexes among Tibetan, Han, and Hui AF patients, highlighting distinct patterns in complications and biomarker levels across ethnic groups.

A comprehensive hierarchical comparison of structural connectomes in Major Depressive Disorder cases v. controls in two large population samples.

The brain can be represented as a network, with nodes as brain regions and edges as region-to-region connections. Nodes with the most connections (hubs) are central to efficient brain function. Current findings on structural differences in Major Depressive Disorder (MDD) identified using network approaches remain inconsistent, potentially due to small sample sizes. It is still uncertain at what level of the connectome hierarchy differences may exist, and whether they are concentrated in hubs, disrupting fundamental brain connectivity. We utilized two large cohorts, UK Biobank (UKB, N = 5104) and Generation Scotland (GS, N = 725), to investigate MDD case-control differences in brain network properties. Network analysis was done across four hierarchical levels: (1) global, (2) tier (nodes grouped into four tiers based on degree) and rich club (between-hub connections), (3) nodal, and (4) connection. In UKB, reductions in network efficiency were observed in MDD cases globally (d = -0.076, pFDR = 0.033), across all tiers (d = -0.069 to -0.079, pFDR = 0.020), and in hubs (d = -0.080 to -0.113, pFDR = 0.013-0.035). No differences in rich club organization and region-to-region connections were identified. The effect sizes and direction for these associations were generally consistent in GS, albeit not significant in our lower-N replication sample. Our results suggest that the brain's fundamental rich club structure is similar in MDD cases and controls, but subtle topological differences exist across the brain. Consistent with recent large-scale neuroimaging findings, our findings offer a connectomic perspective on a similar scale and support the idea that minimal differences exist between MDD cases and controls.

Evaluating the use of unmanned aerial vehicles for spray applications in mountain Nanguo pear orchards.

Nanguo pear is a distinctive pear variety in northeast China, grown mainly in mountainous areas. Due to terrain limitations, ground-based pesticide application equipment is difficult to use. This limitation could be overcome by using unmanned aerial vehicles (UAVs) for pesticide application in Nanguo pear orchards. This study evaluated the spraying performance of two UAVs in the Nanguo pear orchards and compared them with a manually used backpack electric sprayer (BES). The study also analyzed the effect of canopy size on droplet deposition and ground loss, and evaluated two sampling methods, leaf sampling and telescopic rod sampling. Compared to BESs, droplet deposition is lower for UAVs, but the actual pesticide active ingredient deposition is not necessarily lower given the solution concentration. The droplet deposition varies among different UAVs due to structural differences. Under the same UAV operating parameters, droplet deposition on trees with smaller canopy sizes is typically greater than that on trees with larger canopy sizes, and the ground loss was also more severe. Although telescopic rod sampling is a quick and convenient method, it can only reflect the trend of droplet deposition, and the data error is greater compared with leaf sampling. UAVs can achieve better droplet deposition in mountainous Nanguo pear orchards and does almost no harm to the operators compared with the BES. However, canopy size needs to be considered to adjust the application volume rate. Telescopic rods can be used for qualitative analyses, but are not recommended for quantitative analyses. © 2024 Society of Chemical Industry.

An Intercomparison of Snow Mass Budget over Arctic Sea Ice Simulated by CMIP6 Models

Abstract The Arctic has experienced rapid changes in recent decades. For the first time, we intercompare five snow mass budget processes over Arctic sea ice simulated by 22 models from the Coupled Model Intercomparison Project phase 6 (CMIP6) using new diagnostics that have not been available for previous CMIPs. Our analysis suggests that snowfall accumulation (melt) is the dominant process contributing to nearly 100% (70.4% ± 10.1%) of the annual snow growth (loss). Snow mass change through sea ice dynamics, snow–ice conversion, and sublimation contribute 10.9% ± 4.9%, 9.7% ± 5.9%, and 9.0% ± 7.7% to the total snow mass loss. The seasonal cycle of various snow processes simulated by most of the CMIP6 models generally follows similar variations. There is reduced snowfall accumulation, melt, and sea ice dynamics during 1993–2014. However, substantial temporal and spatial discrepancies are noteworthy between the CMIP6 models. There is a large spread of snowfall accumulation and snowmelt in summer and fall, snow–ice conversion from autumn to spring, sublimation in late spring and summer, and snow mass change due to sea ice dynamics from winter to midspring. About half the models show decreasing trends of snowfall accumulation during 1993–2014, with no trends in others. Divergent trends in snow–ice conversion and sublimation occur in the Greenland and Barents Seas. The discrepancies are attributed equally to internal variability and model structural differences. Future projections that remove the identified outlier models suggest a significant reduction in snowfall accumulation, snowmelt, and snow mass change due to sea ice dynamics in the Arctic Ocean from 2015 to 2099. Snow–ice conversion and sublimation are also projected to be reduced but with less confidence.

Differences in financial outcomes for family and nonfamily farms

PurposeNonfamily farms are responsible for a disproportionate amount of US agriculture production. The importance of these operations to the volume of agriculture production in the United States has led researchers and policymakers to understand nonfamily farms as large commercial operations. This paper examines whether the distinction between family and nonfamily helps explain the financial outcomes of farm operations and households.Design/methodology/approachWe test for differences in financial outcomes of the household and operations of family and nonfamily farms using an Oaxaca-Blinder decomposition. We compare these results to a decomposition of other possible typologies.FindingsWe present evidence that nonfamily farms are a heterogeneous group with a majority of small operations that are dominated by a small number of large operations. We discover that differences associated with the family-nonfamily distinction are largely explained by observable farm and operator characteristics that arise mechanically from the definition. However, we find suggestive evidence that family-nonfamily classification captures differences in economic behavior that lead to higher profitability measures to nonfamily farms. We find little evidence of any inherent structural differences between family and nonfamily farms that helps explain financial outcomes related to leverage or household finances.Practical implicationsWe conclude that including nonfamily farms in official statistics of farm households may provide a more comprehensive overview of the farm sector, as our results suggest that family and nonfamily farms do not have innate differences that help explain many of their financial outcomes.Originality/valueWe incorporate previously unused data on nonfamily farm households and test the difference in mean financial outcomes between family and nonfamily farms.

Structural Differences at Quadruplex-Duplex Interfaces Enable Ligand-Induced Topological Transitions.

Quadruplex-duplex (QD) junctions, which represent unique structural motifs of both biological and technological significance, have been shown to constitute high-affinity binding sites for various ligands. A QD hybrid construct based on a human telomeric sequence, which harbors a duplex stem-loop in place of a short lateral loop, is structurally characterized by NMR. It folds into two major species with a (3+1) hybrid and a chair-type (2+2) antiparallel quadruplex domain coexisting in a K+ buffer solution. The antiparallel species is stabilized by an unusual capping structure involving a thymine and protonated adenine base AH+ of the lateral loop facing the hairpin duplex to form a T·AH+ ·G·C quartet with the interfacial G·C base pair at neutral pH. Addition and binding of Phen-DC3 to the QD hybrid mixture by its partial intercalation at corresponding QD junctions leads to a topological transition with exclusive formation of the (3+1) hybrid fold. In agreement with the available experimental data, such an unprecedented discrimination of QD junctions by a ligand can be rationalized following an induced fit mechanism.

Discovery of Pesticide Candidates from Natural Plant Products: Semisynthesis and Characterization of Andrographolide-Based Esters and Study of Their Pesticidal Properties and Toxicology.

To explore the use of nonfood plant-derived secondary metabolites for plant protection, a series of ester derivatives for controlling the major migratory agricultural pests were obtained by structural modification of andrographolide, a labdane diterpenoid isolated from Andrographis paniculata. Compound Id showed good insecticidal activity against the fall armyworm Spodoptera frugiperda Smith. Compounds IIa (LC50: 0.382 mg/mL) and IIIc (LC50: 0.563 mg/mL), the acaricidal activities of which were, respectively, 13.1 and 8.9 times that of andrographolide (LC50: 4.996 mg/mL), exhibited strong acaricidal and control effects against Tetranychus cinnabarinus Boisduval. Against Aphis citricola Van der Goot, compounds IIIc and IVb displayed 3.9- and 3.7-fold pronounced aphicidal activity of andrographolide. Effects of compound Id on three protective enzymes (superoxide dismutase, peroxidase, and catalase) of S. frugiperda were also observed. The obvious differences of epidermal cuticle structures of mites treated with compound IIa were determined by scanning electron microscopy. Structure-activity relationships indicated that 14-ester derivatives of andrographolide showed potential insecticidal/acaricidal activities and can be further utilized as lead compounds.

A solid beta-sheet structure is formed at the surface of FUS droplets during aging.

Phase transitions are important to understand cell dynamics, and the maturation of liquid droplets is relevant to neurodegenerative disorders. We combined NMR and Raman spectroscopies with microscopy to follow, over a period of days to months, droplet maturation of the protein fused in sarcoma (FUS). Our study reveals that the surface of the droplets plays a critical role in this process, while RNA binding prevents it. The maturation kinetics are faster in an agarose-stabilized biphasic sample compared with a monophasic condensed sample, owing to the larger surface-to-volume ratio. In addition, Raman spectroscopy reports structural differences upon maturation between the inside and the surface of droplets, which is comprised of β-sheet content, as revealed by solid-state NMR. In agreement with these observations, a solid crust-like shell is observed at the surface using microaspiration. Ultimately, matured droplets were converted into fibrils involving the prion-like domain as well as the first RGG motif.

Physicochemical, Structural, and Functional Properties of Fructans from Single-Clove Garlic and Multiclove Garlic: A Comparison.

This study aimed to compare the structural features and functional properties of polysaccharides from single-clove garlic (SGPs) and multiclove garlic (MGPs) and to establish their structure-function relationships. Both SGPs and MGPs were identified as fructans consisting mainly of →1)-β-d-Fruf (2→ and →6)-β-d-Fruf (2→ residues but differed in average molecular weights (6.76 and 5.40 kDa, respectively). They shared similar thermodynamic properties, X-ray diffraction patterns, and high gastrointestinal digestive stability. These two purified fructans could dose-dependently scavenge free radicals, reduce oxidized metals, and effectively alleviate metronidazole-induced oxidative stress and CuSO4-induced inflammation in zebrafish via inhibiting the overexpression of inflammation-related proteins and cytokines. SGPs showed lower free radical scavenging activity in vitro than MGPs but higher antioxidant and anti-inflammatory activities in vivo. Taken together, the molecular weight was the main structural difference between the two garlic fructans of different varieties, which is a potential reason for their differences in biological activities.

A chromosome-level genome of mango exclusively from long-read sequence data.

Improvements in long-read sequencing techniques have greatly accelerated plant genome sequencing. Current de novo assemblies are routinely achieved by assembling long-read sequence data into contigs that are assembled to chromosome level by chromatin conformation capture. We report here a chromosome-level mango genome using only PacBio high-fidelity (HiFi) long reads. HiFi reads at high coverage (204x) resulted in the assembly of 17 chromosomes, each as a single contig with telomeres at both ends. The remaining three chromosomes were represented each by two contigs, with telomeres at one end and ribosomal repeats at the other end. Analyzing contig ends allowed them to be paired and linked to generate the remaining three complete chromosomes, telomere-to-telomere but with ribosomal repeats of uncertain length. The assembled genome was 365 Mb with 100% completeness as assessed by Benchmarking Universal Single-Copy Orthologs analysis. The haplotypes assembled demonstrated extensive structural differences. This approach using very high genome coverage may be useful for assembling high-quality genomes for many other plants.

Phylogenetic position and genetic features of HIV-1 in CNS

Background. Due to the wide coverage with antiretroviral therapy, the life expectancy of HIV infected people has significantly increased. Against the background of a decrease in mortality from HIV infection, HIV-associated neurocognitive disorders, which develop even during effective treatment, are of high importance. The overall prevalence of this pathology among HIV-infected people reaches 42.6%.&#x0D; The objective of the study was to research the genetic features and phylogenetic position of HIV-1 persisting in the central nervous system.&#x0D; Materials and methods. The clinical study group consisted of 38 patients with severe neurocognitive disorders against the background of HIV infection in stage 4B. The viral load of HIV-1 in blood plasma and cerebrospinal fluid (CSF) was measured using the "AmpliSens HIV Monitor-FRT" reagents kit. Sanger sequencing was performed using the AmpliSens HIV-Resist-Seq assay kit on an Applied Biosystems 3500 analyzer. Phylogenetic analysis of the pol gene fragments of HIV-1 strains (the site encoding the viral protease and part of the reverse transcriptase) was carried out using maximum likelihood method with the GTR+G nucleotide substitution model. Comparisons of the tertiary structure of viral proteins were performed according to three-dimensional models of the protease and p51 and p66 reverse transcriptase subunits obtained by homologous reconstruction using the SWISS-MODEL tools.&#x0D; Results. The viral load in the sample of patients with severe CNS lesions in blood plasma was 6.27 times higher than in CSF and amounted to 4.67 and 3.87 lg copies/ml respectively by median (p = 0,004).&#x0D; Phylogenetic analysis with the use of all available HIV-1 genomes from GenBank, which differed from the studied ones by less than 5% showed close genetic relations of viruses circulating in Chelyabinsk region, apart from strains circulating in Russian Federation, with viruses circulating in neighboring countries, in most abundance — from Ukraine and Kyrgyzstan, slightly less — from Belarus, Tajikistan, Kazakhstan and Armenia and also with strains from certain foreign countries: Poland and Germany. Phylogenetic analysis of 38 HIV-1 genomes revealed significant genetic distances between HIV isolates from blood plasma and CSF in 5 patients, 4 of whom were PWID, which may indicate an event of superinfection.&#x0D; The amount of independent amino acid substitutions in protease in isolates from blood plasma ranged from 1 to 3, in isolates from CSF — from 1 to 2. An amount of such substitutions in a fragment of reverse transcriptase in isolates from blood plasma ranged from 1 to 6, while in isolates from CSF, it ranged from 1 to 7. HIV isolates from blood plasma and CSF from 5 patients had differences in the tertiary structure of HIV-1 reverse transcriptase p51 subunit in amino acid positions 16–20 and 210–235. Isolates from 3 other patients differed in the tertiary structure only in amino acid positons 210–235. Isolates from 3 patients differed in the structure of HIV-1 RT p66 subunit in a non-nucleoside reverse transcriptase inhibitor binding pocket (NNRTI) region. Fixed differences in the tertiary structure of p51 subunit required at minimum only 1 amino acid substitution to emerge. Alterations in the tertiary structure of p66 subunit required at least 3 amino acid substitutions.&#x0D; Conclusion. Microevolution of HIV-1 proceeds in parallel within the same patient, in different compartments, which is reflected in the accumulation of amino acid substitutions different from another compartment in the conserved pol gene. There is a weak correlation between the viral load level in plasma and in CSF. The genetic heterogeneity of HIV strains from patients of the Chelyabinsk region indicates a high frequency of reintroduction of HIV infection in the region from other countries. Differences in the tertiary structure of HIV-1 reverse transcriptase between blood plasma and CSF isolates are regularly fixed in certain domens, which also confirms the presence of parallel HIV microevolution during virus persistence in tissues separated by the blood-brain barrier which allows a better understanding of the fixation trends of individual amino acid substitutions during HIV-induced damage to central nervous system.

Evolution and Influencing Factors of Spatial Correlation Network of Construction Carbon Emission in China from the Perspective of Whole Life Cycle

Based on the whole life cycle perspective, the carbon emissions of the provincial construction industry in China from 2011 to 2019 were calculated from the production, construction, operation, and demolition stages of building materials. A spatial correlation network matrix of the carbon emissions in the construction industry was constructed by using the modified gravity model, and the structural characteristics of the correlation network were described by introducing social network analysis. Through the quadratic assignment program, the spatial correlation matrix of carbon emissions in the construction industry and its influencing factors were regressed and analyzed. The conclusions were as follows:① the spatial correlation network of carbon emissions in China's construction industry clearly existed. The network density and network correlation numbers were gradually rising, and the network tightness and stability were gradually improving. ② Shanghai, Tianjin, Beijing, and Jiangsu had a higher degree centrality and closeness centrality, which are the core and dominant positions of the spatial correlation network of carbon emissions in the construction industry. Zhejiang replaced Shanghai in the top four from 2013 to 2018, and the betweenness centrality of each province had unbalanced characteristics. ③ Beijing, Tianjin, Jiangsu, Inner Mongolia, Shanghai, and Shandong were "net beneficiaries" blocks, receiving the carbon emissions from other regions. Four provinces, Guangdong, Chongqing, Fujian, and Shandong, belonged to the "broker" sector, achieving a dynamic balance between the production and consumption sides of building carbon emissions. The remaining 20 provinces played a "net spillovers" role, actively sending carbon emissions from the construction industry to other provinces. The correlation between blocks was much greater than the correlation relationship within the blocks. ④ Industrial structure, urban population, spatial adjacency, consumption level, and construction industry process structure had a significant influence on the spatial correlation of carbon emissions in the construction industry. The greater the inter-provincial differences in industrial structure, urban population, spatial adjacency, and consumption level, the greater the similarity of inter-provincial construction industry process structure, and the stronger the spatial correlation and spatial spillover of the construction industry carbon emissions. Finally, according to the evolution characteristics and influencing factors of the spatial correlation network of building carbon emissions, relevant countermeasures and suggestions were provided for the collaborative carbon reduction development of the construction industry region.

Leveraging Crystallization Pathway to Control Structure in Hf0.5Zr0.5O2 Nanoparticles

Hf0.5Zr0.5O2‐based materials have garnered significant attention for applications requiring ferroelectricity at the nanoscale. This behavior arises due to the stabilization of metastable phases at room temperature. However, the synthesis of phase pure Hf0.5Zr0.5O2 remains a challenging problem in both thin films and nanoparticles. Herein, the crystallization of Hf0.5Zr0.5O2 nanoparticles from an as‐synthesized amorphous phase is studied. By tailoring the aggregate nature of the intermediate amorphous nanoparticles via different drying processes, the crystallization pathway can be altered, resulting in significant differences in crystal structure, crystallite size, and crystallite morphology after calcination. X‐ray diffraction (XRD) and Rietveld refinement show the dominant crystallographic phase changes from a monoclinic structure to a cubic structure for samples with decreased aggregation. Samples prepared via freeze drying exhibit the most aggregation control and correspond with the observation of single‐crystalline particle aggregates and branching structures attributed to a crystallization by particle attachment mechanism. Herein, differing crystallization pathways lead to unique crystal morphologies that stabilize the traditionally high‐temperature phases of Hf0.5Zr0.5O2‐based materials that are necessary for functional applications.

High-fidelity, hyper-accurate, and evolved mutants rewire atomic-level communication in CRISPR-Cas9.

The high-fidelity (HF1), hyper-accurate (Hypa), and evolved (Evo) variants of the CRISPR-associated protein 9 (Cas9) endonuclease are critical tools to mitigate off-target effects in the application of CRISPR-Cas9 technology. The mechanisms by which mutations in recognition subdomain 3 (Rec3) mediate specificity in these variants are poorly understood. Here, solution nuclear magnetic resonance and molecular dynamics simulations establish the structural and dynamic effects of high-specificity mutations in Rec3, and how they propagate the allosteric signal of Cas9. We reveal conserved structural changes and dynamic differences at regions of Rec3 that interface with the RNA:DNA hybrid, transducing chemical signals from Rec3 to the catalytic His-Asn-His (HNH) domain. The variants remodel the communication sourcing from the Rec3 α helix 37, previously shown to sense target DNA complementarity, either directly or allosterically. This mechanism increases communication between the DNA mismatch recognition helix and the HNH active site, shedding light on the structure and dynamics underlying Cas9 specificity and providing insight for future engineering principles.