bluuebunny/crossref_metadata_2025 huggingface dataset:
Morphological patterns and spatial probability maps of the inferior frontal sulcus in the human brain
Authors: Nolan Erika , Loh Kep Kee , Petrides Michael
Published: July 2024

The inferior frontal sulcus (ifs) is a prominent sulcus on the lateral frontal cortex, separating the middle frontal gyrus from the inferior frontal gyrus. The morphology of the ifs can be difficult to distinguish from adjacent sulci, which are often misidentified as continuations of the ifs. The morphological variability of the ifs and its relationship to surrounding sulci were examined in 40 healthy human subjects (i.e., 80 hemispheres). The sulci were identified and labeled on the native cortical surface meshes of individual subjects, permitting proper intra‐sulcal assessment. Two main morphological patterns of the ifs were identified across hemispheres: in Type I, the ifs was a single continuous sulcus, and in Type II, the ifs was discontinuous and appeared in two segments. The morphology of the ifs could be further subdivided into nine subtypes based on the presence of anterior and posterior sulcal extensions. The ifs was often observed to connect, either superficially or completely, with surrounding sulci, and seldom appeared as an independent sulcus. The spatial variability of the ifs and its various morphological configurations were quantified in the form of surface spatial probability maps which are made publicly available in the standard fsaverage space. These maps demonstrated that the ifs generally occupied a consistent position across hemispheres and across individuals. The normalized mean sulcal depths associated with the main morphological types were also computed. The present study provides the first detailed description of the ifs as a sulcal complex composed of segments and extensions that can be clearly differentiated from adjacent sulci. These descriptions, together with the spatial probability maps, are critical for the accurate identification of the ifs in anatomical and functional neuroimaging studies investigating the structural characteristics and functional organization of this region in the human brain.
Reliability of dynamic causal modelling of resting‐state magnetoencephalography
Authors: Jafarian Amirhossein , Assem Melek Karadag , Kocagoncu Ece , Lanskey Juliette H. , Williams Rebecca , Cheng Yun‐Ju , Quinn Andrew J. , Pitt Jemma , Raymont Vanessa , Lowe Stephen , Singh Krish D. , Woolrich Mark , Nobre Anna C. , Henson Richard N. , Friston Karl J. , Rowe James B.
Published: July 2024

This study assesses the reliability of resting‐state dynamic causal modelling (DCM) of magnetoencephalography (MEG) under conductance‐based canonical microcircuit models, in terms of both posterior parameter estimates and model evidence. We use resting‐state MEG data from two sessions, acquired 2 weeks apart, from a cohort with high between‐subject variance arising from Alzheimer's disease. Our focus is not on the effect of disease, but on the reliability of the methods (as within‐subject between‐session agreement), which is crucial for future studies of disease progression and drug intervention. To assess the reliability of first‐level DCMs, we compare model evidence associated with the covariance among subject‐specific free energies (i.e., the ‘quality’ of the models) with versus without interclass correlations. We then used parametric empirical Bayes (PEB) to investigate the differences between the inferred DCM parameter probability distributions at the between subject level. Specifically, we examined the evidence for or against parameter differences (i) within‐subject, within‐session, and between‐epochs; (ii) within‐subject between‐session; and (iii) within‐site between‐subjects, accommodating the conditional dependency among parameter estimates. We show that for data acquired close in time, and under similar circumstances, more than 95% of inferred DCM parameters are unlikely to differ, speaking to mutual predictability over sessions. Using PEB, we show a reciprocal relationship between a conventional definition of ‘reliability’ and the conditional dependency among inferred model parameters. Our analyses confirm the reliability and reproducibility of the conductance‐based DCMs for resting‐state neurophysiological data. In this respect, the implicit generative modelling is suitable for interventional and longitudinal studies of neurological and psychiatric disorders.
Three‐dimensional representation of the pure electric‐dipole and the mixed first hyperpolarizabilities: The modified unit sphere representation
Authors: Bonvicini Andrea , Champagne Benoît
Published: July 2024

In this work, the theory of the modified unit sphere representation (mUSR) has been proposed as a computational tool suitable for the three‐dimensional representation of the pure electric‐dipole [] as well as of the mixed electric‐dipole/magnetic‐dipole [ and ] or electric‐dipole/electric‐quadrupole [ and ] first hyperpolarizabilities. These five quantities are Cartesian tensors and they are responsible for the chiral signal in the chiroptical version of the hyper‐Rayleigh scattering (HRS) spectroscopy, namely the HRS optical activity (HRS‐OA) spectroscopy. For the first time, for each hyperpolarizability, alongside with the three‐dimensional representation of the whole (i.e., reducible) Cartesian tensors, the mUSRs are developed for each of the irreducible Cartesian tensors (ICTs) that constitute them. This scheme has been applied to a series of three (chiral) hexahelicene molecules containing different degrees of electron‐withdrawing (quinone) groups and characterized by the same (positive) handedness. For these molecules, the mUSR shows that, upon substitution, the most remarkable qualitative and semi‐quantitative (enhancement of the molecular responses) effects are obtained for the pure electric‐dipole and for the mixed electric‐dipole/magnetic‐dipole hyperpolarizabilities.
Fast in‐situ synthesis of mesoporous Prussian blue‐silica nanocomposite for superior silver ions recovery performance
Authors: El‐Sawaf Ayman , A. Tolan Dina , Abdelrahman Maiada S. , El‐Hay Islam Abd , Ismael Mohamed , Ahmed Abdelaal S. A. , Elshehy Emad A. , Abdu Mahmoud T.
Published: July 2024

BACKGROUND

Mesoporous‐nanostructured silica‐Prussian blue composite is a highly potential material for silver ions removal and recovery from wastewater. Intense interest has been shown in the use of Prussian blue (PB), one of the important coordinated materials and its analogues in removal of toxic and valuable ions.

METHODS

The micro‐emulsion template method enables the synthesis of Prussian blue (PB) within silica pores, yielding a nanostructured mesoporous silica‐PB composite. This rapid synthesis technique allows for the direct fabrication of the composite from mixed precursor solutions within minutes. The resulting material is effective for selectively extracting silver ions from wastewater at a specific pH level.

RESULTS AND DISCUSSION

In summary, the synthesized SiO2‐Prussian blue composite was extensively analyzed using various techniques including XPS, HR‐TEM, SEM, STEM‐EDX elemental maps, TGA/TDA, and N2 adsorption/desorption measurements. The composite exhibited a BET surface area of 203 m2 g−1 and a total pore volume of approximately 0.283 cm3 g−1with mesopores centered around 20 nm. This mesoporous SiO2‐Prussian blue demonstrated significant effectiveness in removing silver ions, with a maximum adsorption capacity of 107.5 mg g−1. The Langmuir and Sips isotherms showed the best fit among various adsorption isotherm types, with R2 values exceeding 0.984. Additionally, kinetic analyses revealed that the pseudo‐second‐order model accurately described the adsorption of silver ions onto the synthesized adsorbent. The nano‐particles exhibit remarkable long‐term stability, maintaining good reproducibility even after five regeneration cycles. © 2024 Society of Chemical Industry (SCI).
Psychological state at the time of psychiatric genetic counseling impacts patient empowerment: A pre–post analysis
Authors: Moses Rachel Gore , Jodarski Colleen , Setzer Michael , Lewis Katie L. , Yan Jia , Byers Sophie , Yavi Mani , Ballard Elizabeth D. , Walkiewicz Magdalena , Zarate Carlos A. , Austin Jehannine C. , Similuk Morgan
Published: July 2024

Psychiatric genetic counseling (GC) has been associated with patient‐reported increases in empowerment (perceived control, emotional regulation, and hope). We sought to evaluate the extent to which patients' psychological state at the time of GC is related to changes in empowerment. Participants with a history of major depressive disorder and/or bipolar disorder that had been refractory to treatment underwent psychiatric GC remotely from 2022 to 2023. GC was performed by four genetic counselors and included discussion of perceived causes of illness, multifactorial inheritance, and protective factors. Empowerment, depression, and anxiety were measured immediately prior to GC via online survey by the GCOS‐16, PHQ‐9, and GAD‐7, respectively. Empowerment was re‐assessed 2 weeks later. In total, 66/161 (41.0%) invited individuals completed both the baseline and follow‐up surveys. Participants completing both surveys were 54.6% female, 84.8% white, and ranged in age from 22 to 78 years (mean = 54.8 years). Overall, a significant change in mean empowerment was not observed (p = 0.38); however, there were moderating effects by baseline psychological state. A multiple linear regression model incorporating PHQ‐9, GAD‐7 and baseline GCOS‐16 score predicted change in empowerment with a large effect (F = 5.49, R2 = 0.21, p < 0.01). A higher score on the PHQ‐9 was associated with decreases in empowerment from pre to post GC. Higher scores on the GAD‐7 and lower baseline GCOS‐16 scores were associated with increases in empowerment. Further, two‐way ANOVA was conducted to assess change in empowerment between subgroups based on the level of anxiety and depression. Those with low depression and high anxiety reported significant increases in empowerment (F = 6.64, p = 0.01). These findings suggest that psychiatric GC may be especially helpful to individuals experiencing anxiety and low baseline empowerment. Alternative approaches may be needed to best meet the needs of those experiencing significant depression.
Impact of international trade on the income gaps between formal and informal sectors: Evidence from China
Authors: Ma Xinxin
Published: July 2024

Using national longitudinal survey data, this study examines the impact of international trade on income gaps between formal and heterogeneous informal workers in China. The results demonstrate that the positive effect of trade on income is larger for informal employees and smaller for self‐employed workers compared to formal employees. The decomposition results indicate that the disproportionate geographic distribution in tradable regions widens the income gaps between employment sectors, while the difference in international trade income premiums widens the income gap between formal and informal employees and narrows the income gap between formal employees and self‐employed workers.
The first paediatric living donor auxiliary orthotopic liver transplant for dengue acute liver failure
Authors: Ramakrishna Somashekara Hosaagrahara , Ageeru Karthik , Kasala Mohan Babu , Krupanandan Ravikumar , Perumal Karnan , Malleeswaran Selvakumar , Patcha Rajanikanth V. , Varghese Joy , Reddy Mettu Srinivas , Ramachandran Bala , Sadasivam Kalaimaran
Published: July 2024

Dengue fever (DF) is one of the common vector‐borne infections in tropical and subtropical regions worldwide. Liver involvement in DF is common and includes a wide spectrum of clinical and laboratory manifestations ranging from mild transaminitis to acute liver failure (ALF). Dengue ALF has a high mortality rate. The role of liver transplant (LT) in ALF is uncertain mainly due to co‐existing multiorgan dysfunction and the risk of re‐infection as a consequence of post‐transplant immunosuppression. Here, we report the first paediatric living donor auxiliary orthotopic LT in an adolescent boy who developed ALF due to dengue. LT for ALF associated with severe dengue may be an option for patients with isolated liver involvement not responding to standard medical management.
Exploring causal correlations between inflammatory cytokines and intervertebral disc degeneration: A Mendelian randomization
Authors: Xu Tao , Chen Guangzi , Li Jian , Zhang Yingchi
Published: July 2024

Background

Inflammatory cytokines have been reported to be related to intervertebral disc degeneration (IVDD) in several previous studies. However, it remains unclear about the causal relationship between inflammatory cytokines and IVDD. This study employs Mendelian randomization (MR) to analyze the causal link between inflammatory cytokines and the risk of IVDD.

Method

We used genetic variants associated with inflammatory cytokines from a meta‐analysis of genome‐wide association study (GWAS) in 8293 Finns as instrumental variables and IVDD data were sourced from the FinnGen consortium. The main analytical approach utilized Inverse‐Variance Weighting (IVW) with random effects to assess the causal relationship. Additionally, complementary methods such as MR‐Egger, weighted median, simple mode, weighted mode, and MR pleiotropy residual sum and outlier were employed to enhance the robustness of the final results.

Result

We found interferon‐gamma (IFN‐γ, p = 2.14 × 10–6, OR = 0.870, 95% CI = 0.821–0.921), interleukin‐1 beta (IL‐1b, p = 0.012, OR = 0.951, 95% CI = 0.914–0.989), interleukin‐4 (IL‐4, p = 0.034, OR = 0.946, 95% CI = 0.899–0.996), interleukin‐18 (IL‐18, p = 0.028, OR = 0.964, 95% CI = 0.934–0.996), granulocyte colony‐stimulating factor (GCSF, p = 0.010, OR = 0.919, 95% CI = 0.861–0.980), and Stromal cell‐derived factor 1a (SDF1a, p = 0.014, OR = 1.072, 95% CI = 1.014–1.134) were causally associated with risk of IVDD.

Conclusion

Our MR analyses found a potential causal relationship between six inflammation cytokines (IFN‐γ, IL‐1b, IL‐4, IL‐18, SDF1a, and GCSF) and altered IVDD risk.
Financing decisions of third‐party remanufacturers with different co‐opetition modes: The impact of blockchain adoption
Authors: Ma Peng , Li Junmei , Xu Henry , Chen Mingjun
Published: July 2024

The third‐party remanufacturer (TPR) can cooperate with the original equipment manufacturer (OEM) and remanufactured products are sold by the OEM (i.e., the cooperation mode). The TPR can also sell remanufactured products individually to compete with the OEM's new products (i.e., the competition mode). Considering the issue of false information in remanufacturing supply chains and the TPR's limited capital, we build game models with blockchain to explore the TPR's optimal financing strategies under different co‐opetition mode selections. We find that a high blockchain usage prompts the TPR to finance from the OEM in the competition mode, while a low blockchain usage motivates the TPR to choose the cooperation mode and opt for a bank credit. Besides, we also find that the difference between the TPR's optimal profits of cooperation and competition modes increases with the interest rate.
Diffusion Tensor Imaging‐Along the Perivascular‐Space Index Is Associated with Disease Progression in Parkinson's Disease
Authors: Wood Kimberly H. , Nenert Rodolphe , Miften Aya M. , Kent George W. , Sleyster Madison , Memon Raima A. , Joop Allen , Pilkington Jennifer , Memon Adeel A. , Wilson Riis N. , Catiul Corina , Szaflarski Jerzy , Amara Amy W.
Published: July 2024

Background

The glymphatic clearance pathway is a waste clearance system that allows for removal of soluble proteins such as amyloid β (Aβ) from the brain. Higher Aβ levels are associated with cognitive dysfunction in Parkinson's disease (PD). Diffusion tensor imaging‐along the perivascular space (DTI‐ALPS) is an imaging measure proposed to indirectly measure glymphatic function.

Objectives

Evaluate differences in DTI‐ALPS‐index between PD and healthy controls (HC) and characterize relationships between this proposed measure of glymphatic clearance, cognition, and disease severity in PD.

Methods

PD (n = 32) and HC (n = 23) participants underwent brain imaging to assess DTI‐ALPS. PD participants were classified as PD‐normal cognition (PD‐NC; n = 20) or PD‐mild cognitive impairment (PD‐MCI; n = 12) based on a Level II comprehensive cognitive assessment. A subgroup of PD participants (n = 21) returned for annual assessments for up to 4 years after baseline. Longitudinal outcomes included changes in performance on the comprehensive cognitive assessment and changes in the Movement Disorders Society Unified Parkinson's Disease Rating Scale (MDS‐UPDRS).

Results

PD participants had lower DTI‐ALPS‐index compared to HC. PD participants classified as PD‐MCI had significantly lower DTI‐ALPS‐index compared to PD‐NC. Lower DTI‐ALPS‐index at baseline was associated with longitudinal cognitive decline and worse longitudinal disease severity.

Conclusions

Glymphatic clearance, as measured with DTI‐ALPS, has potential to serve as a marker of longitudinal disease progression. Interventions targeting glymphatic function should be explored for potential to slow cognitive decline in PD. © 2024 International Parkinson and Movement Disorder Society.
Polyolefin elastomer/cyclic olefin copolymer/multi‐walled carbon nanotubes nanocomposites: Rheological, morphological, electrical and mechanical study
Authors: Saadatmand‐Navaran Mehran , Azizi Hamed , Ahmadjo Saeid
Published: July 2024

The subject of this research is a relatively detailed investigation of the rheological, morphological and electrical properties of nanocomposites based on polyolefin elastomer (POE), cyclic olefin copolymer (COC) and multi‐walled carbon nanotubes (MWCNTs). To formulate a mixture of two polymers (COC and POE), the melt mixing method was used and their morphology was studied by SEM technique and it was found that the morphology is of co‐continuous type. When the weight percentage ratio of COC was between 40 and 60, the desired morphology (co‐continuous) appeared. Interfacial tension calculations and TEM images proved that the nanotube particles were stabilized both within the phase of POE as well as at the interface of the two polymer phases. The rheological behavior was analyzed for composite samples containing 0–3 wt % MWCNT. The electrical and rheological percolation thresholds appeared at 1 and a 0.5 percent by weight of nanotube particles, respectively, which may be better to consider as related to the phenomenon of dual percolation. The highest conductivity was obtained for the nanocomposite containing 3% MWCNT. The results of mechanical tests also showed a strong upward trend of properties due to the addition of nanotube.

Highlights

The effect of COC content on the morphology of POE/COC blend was investigated.

The Morphology for the POE/COC blend at low COC content was droplet‐matrix type.

MWCNT has a greater tendency to be in the POE phase than COC.

Rheological behavior strongly depended on the amount of nanotube particles.

The highest conductivity was obtained for the sample containing 3% MWCNT.
A comparison of fabrication routes and property evaluation methods for bio‐particulate filled glass‐epoxy composites
Authors: Batha Gowtham , Mahapatra Sourav Kumar , Satapathy Alok
Published: July 2024

This research work aims to investigate the effect of fabrication techniques on the physico‐mechanical properties of pistachio shell (PS) filled glass‐epoxy composites and to compare the experimental findings with numerical simulation results using finite element analysis (FEM). These hybrid composites are fabricated by vacuum‐assisted resin transfer molding (VARTM) and hand layup (HL) techniques with fixed glass fiber fraction (20 wt. %) but different PS powder loadings of 0–30 wt. %. The composites are then characterized for physical, compositional, micro‐structural and mechanical properties. The micro‐structural analysis of the filler and composites is performed using electron microscopy and stereo‐microscopy. To identify the phases present in both the raw filler and the composite, an x‐ray diffraction test is performed. The presence of functional groups is identified with the help of Fourier transform infrared spectroscopy (FTIR). It is observed that there is a reasonable improvement in the mechanical properties of the composites with increase in PS powder content, irrespective of the fabrication process used. The density and void fraction are also greatly affected by the amount of filler particles present in the composites and also on the composite fabrication technique. The FEM analysis is also carried out using ANSYS 22.0 workbench to determine the characteristic properties numerically. The comparison of experimental and numerical results yields that the properties obtained by using VARTM results are close to experimental ones with errors lying in the range of 1%–4%. These composites can possibly find potential applications in light duty structures and wear resistant applications.

Highlights

Development of hybrid composites using HL and VARTM techniques.

Physical and mechanical properties alter with filler loading.

Evaluation of mechanical properties using finite element analysis.

Validating the model by comparing experimental and numerical results.
Study on surface quality and cell morphology of foamed components fabricated using gas counter‐pressure with core‐back and high‐pressure foam injection molding with core‐back process
Authors: Chiu Chun‐Yang , Yang Sen‐Yeu , Yeh Shu‐Kai
Published: July 2024

The core‐back process has substantially increased the range of applicability of foam injection molding (FIM) by increasing the pressure drop rate and expansion ratio. However, cell nucleation and growth occur concurrently with the flow of the melt/gas mixture during the filling stage, resulting in poor surface quality and a non‐uniform cell structure. This study investigated foam injection molding with gas counter pressure (GCP) and core‐back to produce foamed components, with comparison to high‐pressure FIM with core‐back process. Through this method, the nucleation during filling is suppressed. The surface roughness was improved to 0.987 μm, a 59% reduction compared to high‐pressure injection molding foam with core‐back. In addition, the cell uniformity was improved, measured at two locations near and far from the gate, the cell density reaching 1.7 × 105 and 2.1 × 105 cells/cm3, and cell size measuring 120.88 and 129.57 μm, respectively. GCP also prevented the formation of the bubbles larger than 500 μm at the location far from the gate. Even at the lowest recommended mold temperature, the combination of GCP and core‐back enables the production of high‐quality foamed components with reduced cooling time.

Highlights

Preventing the simultaneous occurrence of cell nucleation, growth and melt flow.

Foamed material with high surface quality produced by FIM.

Improving the cell uniformity throughout the foamed component.

Feasibility of GCP technology in conjunction with core‐back process.
MAGPIE: An interactive tool for visualizing and analyzing protein–ligand interactions
Authors: Rodriguez Daniel C. Pineda , Weber Kyle C. , Sundberg Belen , Glasgow Anum
Published: July 2024

Quantitative tools to compile and analyze biomolecular interactions among chemically diverse binding partners would improve therapeutic design and aid in studying molecular evolution. Here we present Mapping Areas of Genetic Parsimony In Epitopes (MAGPIE), a publicly available software package for simultaneously visualizing and analyzing thousands of interactions between a single protein or small molecule ligand (the “target”) and all of its protein binding partners (“binders”). MAGPIE generates an interactive three‐dimensional visualization from a set of protein complex structures that share the target ligand, as well as sequence logo‐style amino acid frequency graphs that show all the amino acids from the set of protein binders that interact with user‐defined target ligand positions or chemical groups. MAGPIE highlights all the salt bridge and hydrogen bond interactions made by the target in the visualization and as separate amino acid frequency graphs. Finally, MAGPIE collates the most common target‐binder interactions as a list of “hotspots,” which can be used to analyze trends or guide the de novo design of protein binders. As an example of the utility of the program, we used MAGPIE to probe how different antibody fragments bind a viral antigen; how a common metabolite binds diverse protein partners; and how two ligands bind orthologs of a well‐conserved glycolytic enzyme for a detailed understanding of evolutionarily conserved interactions involved in its activation and inhibition. MAGPIE is implemented in Python 3 and freely available at https://github.com/glasgowlab/MAGPIE, along with sample datasets, usage examples, and helper scripts to prepare input structures.
MRS2 missense variation at Asp216 abrogates inhibitory Mg2+ binding, potentiating cell migration and apoptosis resistance
Authors: Uthayabalan Sukanthathulse , Lake Taylor , Stathopulos Peter B.
Published: July 2024

Mitochondrial magnesium (Mg2+) is a crucial modulator of protein stability, enzymatic activity, ATP synthesis, and cell death. Mitochondrial RNA splicing protein 2 (MRS2) is the main Mg2+ channel in the inner mitochondrial membrane that mediates influx into the matrix. Recent cryo‐electron microscopy (cryo‐EM) human MRS2 structures exhibit minimal conformational changes at high and low Mg2+, yet the regulation of human MRS2 and orthologues by Mg2+ binding to analogous matrix domains has been well established. Further, a missense variation at D216 has been identified associated with malignant melanoma and MRS2 expression and activity is implicated in gastric cancer. Thus, to gain more mechanistic and functional insight into Mg2+ sensing by the human MRS2 matrix domain and the association with proliferative disease, we assessed the structural, biophysical, and functional effects of a D216Q mutant. We show that the D216Q mutation is sufficient to abrogate Mg2+‐binding and associated conformational changes including increased α‐helicity, stability, and monomerization. Further, we reveal that the MRS2 matrix domains interact with ~μM affinity, which is weakened by up to two orders of magnitude in the presence of Mg2+ for wild‐type but unaffected for D216Q. Finally, we demonstrate the importance of Mg2+ sensing by MRS2 to prevent matrix Mg2+ overload as HeLa cells overexpressing MRS2 show enhanced Mg2+ uptake, cell migration, and resistance to apoptosis while MRS2 D216Q robustly potentiates these cancer phenotypes. Collectively, our findings further define the MRS2 matrix domain as a critical Mg2+ sensor that undergoes conformational and assembly changes upon Mg2+ interactions dependent on D216 to temper matrix Mg2+ overload.
Complete combinatorial mutational enumeration of a protein functional site enables sequence‐landscape mapping and identifies highly‐mutated variants that retain activity
Authors: Colom Mireia Solà , Vučinić Jelena , Adolf‐Bryfogle Jared , Bowman James W. , Verel Sébastien , Moczygemba Isabelle , Schiex Thomas , Simoncini David , Bahl Christopher D.
Published: July 2024

Understanding how proteins evolve under selective pressure is a longstanding challenge. The immensity of the search space has limited efforts to systematically evaluate the impact of multiple simultaneous mutations, so mutations have typically been assessed individually. However, epistasis, or the way in which mutations interact, prevents accurate prediction of combinatorial mutations based on measurements of individual mutations. Here, we use artificial intelligence to define the entire functional sequence landscape of a protein binding site in silico, and we call this approach Complete Combinatorial Mutational Enumeration (CCME). By leveraging CCME, we are able to construct a comprehensive map of the evolutionary connectivity within this functional sequence landscape. As a proof of concept, we applied CCME to the ACE2 binding site of the SARS‐CoV‐2 spike protein receptor binding domain. We selected representative variants from across the functional sequence landscape for testing in the laboratory. We identified variants that retained functionality to bind ACE2 despite changing over 40% of evaluated residue positions, and the variants now escape binding and neutralization by monoclonal antibodies. This work represents a crucial initial stride toward achieving precise predictions of pathogen evolution, opening avenues for proactive mitigation.
Precursors of summer heat waves in the Eastern Mediterranean
Authors: Garfinkel Chaim I. , Rostkier‐Edelstein Dorita , Morin Efrat , Hochman Assaf , Schwartz Chen , Nirel Ronit
Published: July 2024

Reanalysis and observational data are used to identify the precursors of summertime heat waves over the Eastern Mediterranean. After compiling a list of heat waves using objective criteria, we identify robust precursors present 7–10 days before the onset of the heat wave, longer than the typical horizon for trustworthy weather forecasts. If these precursors are present, there is a significant warming over the Eastern Mediterranean over the following 10 days that persists for weeks after. These precursors include a weakened Indian monsoon, a strengthened Sahelian monsoon, warm Western/Central Mediterranean sea‐surface temperatures, and a midlatitude low‐pressure system from the west. Further, horizontal temperature advection is the proximate cause of the heat wave in the days before the extreme; in particular, a weakening of the Etesian winds that would otherwise advect relatively cool maritime air inland accounts for around half of the warming. There has been a clear tendency for more heat extremes in recent years. These results have implications for forecasting anomalous summer temperatures in the Eastern Mediterranean, and the framework developed here can also be applied in other regions.
Development and validation of an ultrafast method of quantification of rivaroxaban in human serum using laser diode thermal desorption coupled to triple quadrupole mass spectrometry
Authors: Moreau Mégane , Auger Serge , Picard Pierre , Lacoursière Jean , Segura Pedro A.
Published: July 2024

Rationale

Rivaroxaban is an anticoagulant prescribed to patients who are at risk of medical conditions such as deep‐vein thrombosis, pulmonary embolisms, and strokes caused by blood clots. The administration of this drug is monitored to adjust the dosage and evaluate patients' blood concentration. Rapid quantification of this drug in plasma could make it possible to ensure that the dose present in the blood of patients does not represent a danger for the medical intervention to be carried out.

Methods

Liquid chromatography–tandem mass spectrometry is usually employed to quantify rivaroxaban in blood, plasma, and serum. Here, an alternative method of analysis based on laser diode thermal desorption–triple quadrupole mass spectrometry (LDTD‐QqQMS) was developed and comprehensively validated. This new method allows the quantification of rivaroxaban in less than 13 s from sample to sample. The extraction of rivaroxaban in human serum was done by a salting‐out liquid–liquid extraction with acetonitrile and a saturated sodium chloride solution.

Results

The proposed method allows the quantification of rivaroxaban in less than 13 s from sample to sample. During validation, all criteria were respected. The accuracy was <15% of the nominal value, the precision was <15%CV, and the recovery was ≥89.9%. There were no observed carryover or matrix effects. Analysis of the extracted samples established the stability of dry (24 h) and wet samples (1 week) when samples cannot be analyzed immediately, a considerable advantage in a clinical setting.

Conclusions

This method improves sample throughput by more than 1200% compared to liquid chromatography–tandem mass spectrometry methods of analysis of rivaroxaban and decreases analysis costs by reducing solvent consumption and instrument time.
Test accuracy of rapid diagnostic tests and reverse‐transcription polymerase chain reaction against virus isolation in cell culture for assessing SARS‐CoV‐2 infectivity: Systematic review and meta‐analysis
Authors: Fomenko Alexey , Dähne Theo , Weibel Stephanie , Panning Marcus , Grummich Kathrin , Schlesinger Sabrina , Rücker Gerta , Hengel Hartmut
Published: July 2024

We aimed to assess the performance of Ag‐RDT and RT‐qPCR with regard to detecting infectious SARS‐CoV‐2 in cell cultures, as their diagnostic test accuracy (DTA) compared to virus isolation remains largely unknown. We searched three databases up to 15 December 2021 for DTA studies. The bivariate model was used to synthesise the estimates. Risk of bias was assessed using QUADAS‐2/C. Twenty studies (2605 respiratory samples) using cell culture and at least one molecular test were identified. All studies were at high or unclear risk of bias in at least one domain. Three comparative DTA studies reported results on Ag‐RDT and RT‐qPCR against cell culture. Two studies evaluated RT‐qPCR against cell culture only. Fifteen studies evaluated Ag‐RDT against cell culture as reference standard in RT‐qPCR‐positive samples. For Ag‐RDT, summary sensitivity was 93% (95% CI 78; 98%) and specificity 87% (95% CI 70; 95%). For RT‐qPCR, summary sensitivity (continuity‐corrected) was 98% (95% CI 95; 99%) and specificity 45% (95% CI 28; 63%). In studies relying on RT‐qPCR‐positive subsamples (n = 15), the summary sensitivity of Ag‐RDT was 93% (95% CI 92; 93%) and specificity 63% (95% CI 63; 63%). Ag‐RDT show moderately high sensitivity, detecting most but not all samples demonstrated to be infectious based on virus isolation. Although RT‐qPCR exhibits high sensitivity across studies, its low specificity to indicate infectivity raises the question of its general superiority in all clinical settings. Study findings should be interpreted with caution due to the risk of bias, heterogeneity and the imperfect reference standard for infectivity.
Proposing a composite index and maturity model for urban sustainability in the Brazilian context: A machine learning and data envelopment analysis approach
Authors: Furlan Marcelo , Lima Pedro Augusto Bertucci , Paião Junior Gilberto Dias , Mariano Enzo Barberio , Pires Sara Margarida Moreno
Published: July 2024

Despite efforts towards the accomplishment of the UN 2030 Agenda, the challenges of burgeoning populations, income inequality, difficulty in accessing basic services, among others, remain in several cities around the world. New approaches to measure and assess the sustainability of cities can support the development of actions to improve the different dimensions of sustainability. The research aims to propose an urban sustainability index and a maturity model to evaluate the sustainability of cities and monitor it over time. To achieve this objective, a maturity model was developed based on three different techniques: Data Envelopment Analysis, Artificial Neural Networks, and Analysis of Variance. The proposed index and the maturity model were applied to evaluate a sample of 504 Brazilian cities. The main results observed are: (a) the presence of five distinct levels of city performance (maturity), grouped via machine learning and validated via inferential statistics; (b) no city was considered fully sustainable and only 4.76% of the cities studies are at the highest level of urban sustainability maturity; (c) from a joint application of the three quantitative techniques and specific targets for each indicator could be identified, and the performance of cities classified over time. Based on the results, it is hoped that policy makers will have more objective and standardized tools to collect useful information and be able to reinforce critical strategies or chart new policies towards sustainable urban development. It is also hoped that the joint application of the techniques can shed light on new urban sustainability assessment models.
Modulating Surface Architecture and Electronic Conductivity of Li‐rich Manganese‐Based Cathode
Authors: Li Zhi , Cao Shuang , Chen Jiarui , Wu Lei , Chen Manfang , Ding Hao , Wang Ruijuan , Guo Wei , Bai Yansong , Liu Min , Wang Xianyou
Published: July 2024

Li‐rich manganese‐based cathode (LRMC) has attracted intense attention to developing advanced lithium‐ion batteries with high energy density. However, LRMC is still plagued by poor cyclic stability, undesired rate capacity, and irreversible oxygen release. To address these issues, herein, a feasible polyvinylidene fluoride (PVDF)‐assisted interface modification strategy is proposed for modulating the surface architecture and electronic conductivity of LRMC by intruding the F‐doped carbon coating, spinel structure, and oxygen vacancy on the LRMC, which can greatly enhance the cyclic stability and rate capacity, and restrain the oxygen release for LRMC. As a result, the modified material delivers satisfactory cyclic performance with a capacity retention of 90.22% after 200 cycles at 1 C, an enhanced rate capacity of 153.58 mAh g−1 at 5 C and 126.32 mAh g−1 at 10 C, and an elevated initial Coulombic efficiency of 85.63%. Moreover, the thermal stability, electronic conductivity, and structure stability of LRMC are also significantly improved by the PVDF‐assisted interface modification strategy. Therefore, the strategy of simultaneously modulating the surface architecture and the electronic conductivity of LRMC provides a valuable idea to improve the comprehensive electrochemical performance of LRMC, which offers a promising reference for designing LRMC with high electrochemical performance.
Biodegradable Poly (L‐Lactic acid) Fibrous Membrane with Ribbon‐Structured Fibers and Ultrafine Nanofibers Enhances Air Filtration Performance
Authors: Li Lin , Gao Yuyu , Nie Guangzhi , Yan Xunchang , Wang Sai , Zhang Tong , Ramakrishna Seeram , Long Yun‐Ze , Han Wenpeng
Published: July 2024

Here, the poly (l‐lactic acid) (PLLA) membrane with multi‐structured networks (MSN) is successfully prepared by electrospinning technology for the first time. It is composed of micron‐sized ribbon‐structured fibers and ultrafine nanofibers with a diameter of tens of nanometers, and they are connected to form the new network structure. Thanks to the special fiber morphology and structure, the interception and electrostatic adsorption ability for against atmospheric particulate matter (PM) are significantly enhanced, and the resistance to airflow is reduced due to the “slip effect” caused by ultrafine nanofibers. The PLLA MSN membrane shows excellent filtration performance with ultra‐high filtration efficiency (>99.9% for PM2.5 and >99.5% for PM0.3) and ultra‐low pressure drop (≈20 Pa). It has demonstrated filtration performance that even exceeds current non‐biodegradable polymer materials, laying the foundation for future applications of biodegradable PLLA in the field of air filtration. In addition, this new structure also provides a new idea for optimizing the performance of other polymer materials.
Deformation‐Resistant Underwater Adhesion in a Wide Salinity Range
Authors: Wang Shuxue , Ou Richang , Li Jingjing , Jin Kai , Yu Liangmin , Murto Petri , Wang Zhihang , Xu Xiaofeng
Published: July 2024

Conventional adhesives experience reduced adhesion when exposed to aqueous environments. The development of underwater adhesives capable of forming strong and durable bonds across various wet substrates is crucial in biomedical and engineering domains. Nonetheless, limited emphasis placed on retaining high adhesion strengths in different saline environments, addressing challenges such as elevated osmotic pressure and spontaneous dimensional alterations. Herein, a series of ionogel‐based underwater adhesives are developed using a copolymerization approach that incorporates “dynamic complementary cross‐linking” networks. Synergistic engineering of building blocks, cross‐linking networks, pendant groups and counterions within ionogels ensures their adhesion and cohesion in brine spanning a wide salinity range. A high adhesion strength of ≈3.6 MPa is attained in freshwater. Gratifyingly, steady adhesion strengths exceeding 3.3 MPa are retained in hypersaline solutions with salinity ranging from 50 to 200 g kg−1, delivering one of the best‐performing underwater adhesives suitable for diverse saline solutions. A combination of outstanding durability, reliability, deformation resistance, salt tolerance, and self‐healing properties showcases the “self‐contained” underwater adhesion. This study shines light on the facile fabrication of catechol‐free ionogel‐based adhesives, not merely boosting adhesion strengths in freshwater, but also broadening their applicability across various saline environments.
Fabrication of a Stable and Highly Effective Anode Material for Li‐Ion/Na‐Ion Batteries Utilizing ZIF‐12
Authors: Buğday Nesrin , Wang Haoji , Hong Ningyun , Zhang Baichao , Deng Wentao , Zou Guoqiang , Hou Hongshuai , Yaşar Sedat , Ji Xiaobo
Published: July 2024

Transition metal selenides (TMSs) are receiving considerable interest as improved anode materials for sodium‐ion batteries (SIBs) and lithium‐ion batteries (LIBs) due to their considerable theoretical capacity and excellent redox reversibility. Herein, ZIF‐12 (zeolitic imidazolate framework) structure is used for the synthesis of Cu2Se/Co3Se4@NPC anode material by pyrolysis of ZIF‐12/Se mixture. When Cu2Se/Co3Se4@NPC composite is utilized as an anode electrode material in LIB and SIB half cells, the material demonstrates excellent electrochemical performance and remarkable cycle stability with retaining high capacities. In LIB and SIB half cells, the Cu2Se/Co3Se4@NPC anode material shows the ultralong lifespan at 2000 mAg−1, retaining a capacity of 543 mAhg−1 after 750 cycles, and retaining a capacity of 251 mAhg−1 after 200 cycles at 100 mAg−1, respectively. The porous structure of the Cu2Se/Co3Se4@NPC anode material can not only effectively tolerate the volume expansion of the electrode during discharging and charging, but also facilitate the penetration of electrolyte and efficiently prevents the clustering of active particles. In situ X‐ray difraction (XRD) analysis results reveal the high potential of Cu2Se/Co3Se4@NPC composite in building efficient LIBs and SIBs due to reversible conversion reactions of Cu2Se/Co3Se4@NPC for lithium‐ion and sodium‐ion storage.
3D Wetting Gradient Janus Sports Bras for Efficient Sweat Removal: A Strategy to Improve Women's Sports Comfort and Health
Authors: Min Shuqiang , Xu Zixuan , Huang Yange , Wu Xianchang , Zhan Tonghuan , Yu Xiaohua , Wang He , Xu Bing
Published: July 2024

Developing Janus fabrics with excellent one‐way sweat transport capacity is an attractive way for providing comfort sensation and protecting the health during exercise. In this work, a 3D wetting gradient Janus fabric (3DWGJF) is first proposed to address the issue of excessive sweat accumulation in women's breasts, followed by integration with a sponge pad to form a 3D wetting gradient Janus sports bra (3DWGJSB). The 3D wetting gradient enables the prepared fabric to control the horizontal migration of sweat in one‐way mode (x/y directions) and then unidirectionally penetrate downward (z direction), finally keeping the water content on the inner side of 3DWGJF (skin side) at ≈0%. In addition, the prepared 3DWGJF has good water vapor transmittance rate (WVTR: 0.0409 g cm−2 h−1) and an excellent water evaporation rate (0.4704 g h−1). Due to the high adhesion of transfer prints to the fabrics and their excellent mechanical properties, the 3DWGJF is remarkably durable and capable of withstanding over 500 laundering cycles and 400 abrasion cycles. This work may inspire the design and fabrication of next‐generation moisture management fabrics with an effective sweat‐removal function for women's health.
Effect of Ferrite Second Phase on Shape Memory Effect of Corrosion‐Resistant Fe–Mn–Si Shape Memory Alloy
Authors: Pan Mingming , Zhang Jun , Zhang Xiaoming
Published: July 2024

At present, Fe–Mn–Si shape memory alloy with high corrosion resistance has become the focus of attention because of its special requirements in some fields. On the basis of Fe–Mn–Si shape memory alloy, a corrosion‐resistant shape memory alloy was designed by adding Cr and other alloy elements. The microstructure characteristics and phase ratio control mechanism of the annealed alloy and the influence mechanism of the second phase (ferrite) and ratio on the alloy memory effect are emphatically studied. The results show that ferrite and austenite are evenly distributed at low annealing temperature, and there is thermal‐induced ε‐martensite at the same time. Appropriate thermal‐induced ε‐martensite can strengthen the austenite matrix, and the shape recovery rate is high at this time. With the increase of annealing temperature, the volume fraction and grain size of ferrite increase, the volume fraction of thermal‐induced ε‐martensite and austenite decreases, and the shape recovery rate decreases, but it is beneficial to improve the corrosion resistance.
Seismic performance of RC exterior wide beam–column joints
Authors: Jiang Qing , Su Wenji , Feng Yulong , Shen Jie , Fan Yonglong , Xuan Dianchun
Published: July 2024

In this paper, seven half‐scale specimens are used to investigate the effects of the beam–column width ratio, concrete strength, and axial load on the seismic performance of wide exterior beam–column joints. The test results show that all the specimens undergo bending damage at the beam end. The concrete damage in the core column is not significant, meeting the seismic requirements of strong column–weak beams and strong joint–weak members. For specimens with small beam widths, the increase in axial load can effectively reduce the damage to the concrete in the outer joint and increase the strength of the specimen. Increasing the beam width and concrete strength reduces the ductility of the specimen while increasing the strength of the specimen. The bonding performance of the longitudinal bars anchored outside the core column is poor, as bond–slip with the concrete is observed during the test. In addition, compared with ACI 318‐19, GB 50011‐2010 is more conservative for calculating the shear strength of exterior wide beam–column joints. Finally, a corresponding finite element model is established by MSC Marc and verified based on the experimental results.
V2O3/VN electrocatalysts with coherent heterogeneous interfaces for selecting low‐energy nitrogen reduction pathways
Authors: An Tae‐Yong , Xia Chengkai , Je Minyeong , Lee Hyunjung , Ji Seulgi , Kim Min‐Cheol , Surendran Subramani , Han Mi‐Kyung , Lim Jaehyoung , Lee Dong‐Kyu , Kim Joon Young , Kim Tae‐Hoon , Choi Heechae , Kim Jung Kyu , Sim Uk
Published: July 2024

Electrochemical nitrogen reduction reaction (NRR) is a sustainable alternative to the Haber‒Bosch process for ammonia (NH3) production. However, the significant uphill energy in the multistep NRR pathway is a bottleneck for favorable serial reactions. To overcome this challenge, we designed a vanadium oxide/nitride (V2O3/VN) hybrid electrocatalyst in which V2O3 and VN coexist coherently at the heterogeneous interface. Since single‐phase V2O3 and VN exhibit different surface catalytic kinetics for NRR, the V2O3/VN hybrid electrocatalyst can provide alternating reaction pathways, selecting a lower energy pathway for each material in the serial NRR pathway. As a result, the ammonia yield of the V2O3/VN hybrid electrocatalyst was 219.6 µg h−1 cm−2, and the Faradaic efficiency was 18.9%, which is much higher than that of single‐phase VN, V2O3, and VNxOy solid solution catalysts without heterointerfaces. Density functional theory calculations confirmed that the composition of these hybrid electrocatalysts allows NRR to proceed from a multistep reduction reaction to a low‐energy reaction pathway through the migration and adsorption of intermediate species. Therefore, the design of metal oxide/nitride hybrids with coherent heterointerfaces provides a novel strategy for synthesizing highly efficient electrochemical catalysts that induce steps favorable for the efficient low‐energy progression of NRR.