bluuebunny/crossref_metadata_2025 huggingface dataset:
Effect of marine heatwaves and warming on kelp microbiota influence trophic interactions
Authors: Castro Louise C. , Vergés Adriana , Straub Sandra C. , Campbell Alexandra H. , Coleman Melinda A. , Wernberg Thomas , Steinberg Peter , Thomas Torsten , Dworjanyn Symon , Cetina‐Heredia Paulina , Roughan Moninya , Marzinelli Ezequiel M.
Published: January 2024

The range‐expansion of tropical herbivores due to ocean warming can profoundly alter temperate reef communities by overgrazing the seaweed forests that underpin them. Such ecological interactions may be mediated by changes to seaweed‐associated microbiota in response to warming, but empirical evidence demonstrating this is rare. We experimentally simulated ocean warming and marine heatwaves (MHWs) to quantify effects on two dominant temperate seaweed species and their microbiota, as well as grazing by a tropical herbivore. The kelp Ecklonia radiata's microbiota in sustained warming and MHW treatments was enriched with microorganisms associated with seaweed disease and tissue degradation. In contrast, the fucoid Sargassum linearifolium's microbiota was unaffected by temperature. Consumption by the tropical sea‐urchin Tripneustes gratilla was greater on Ecklonia where the microbiota had been altered by higher temperatures, while Sargassum's consumption was unaffected. Elemental traits (carbon, nitrogen), chemical defences (phenolics) and tissue bleaching of both seaweeds were generally unaffected by temperature. Effects of warming and MHWs on seaweed holobionts (host plus its microbiota) are likely species‐specific. The effect of increased temperature on Ecklonia's microbiota and subsequent increased consumption suggest that changes to kelp microbiota may underpin kelp‐herbivore interactions, providing novel insights into potential mechanisms driving change in species' interactions in warming oceans.
Genetic architecture of ecological divergence between Oryza rufipogon and Oryza nivara
Authors: Meng Qing‐Lin , Qiang Cheng‐Gen , Li Ji‐Long , Geng Mu‐Fan , Ren Ning‐Ning , Cai Zhe , Wang Mei‐Xia , Jiao Zi‐Hui , Zhang Fu‐Min , Song Xian‐Jun , Ge Song
Published: January 2024

Ecological divergence due to habitat difference plays a prominent role in the formation of new species, but the genetic architecture during ecological speciation and the mechanism underlying phenotypic divergence remain less understood. Two wild ancestors of rice (Oryza rufipogon and Oryza nivara) are a progenitor‐derivative species pair with ecological divergence and provide a unique system for studying ecological adaptation/speciation. Here, we constructed a high‐resolution linkage map and conducted a quantitative trait locus (QTL) analysis of 19 phenotypic traits using an F2 population generated from a cross between the two Oryza species. We identified 113 QTLs associated with interspecific divergence of 16 quantitative traits, with effect sizes ranging from 1.61% to 34.1% in terms of the percentage of variation explained (PVE). The distribution of effect sizes of QTLs followed a negative exponential, suggesting that a few genes of large effect and many genes of small effect were responsible for the phenotypic divergence. We observed 18 clusters of QTLs (QTL hotspots) on 11 chromosomes, significantly more than that expected by chance, demonstrating the importance of coinheritance of loci/genes in ecological adaptation/speciation. Analysis of effect direction and v‐test statistics revealed that interspecific differentiation of most traits was driven by divergent natural selection, supporting the argument that ecological adaptation/speciation would proceed rapidly under coordinated selection on multiple traits. Our findings provide new insights into the understanding of genetic architecture of ecological adaptation and speciation in plants and help effective manipulation of specific genes or gene cluster in rice breeding.
An evaluation of intensive care nurses' performance of indirect calorimetry measurements
Authors: Occhiali Emilie , Bernard Benedicte , Fraboulet Marion , Achamrah Najate , Clavier Thomas
Published: January 2024

Background

Indirect calorimetry (IC) is the gold standard to monitor energy expenditure in critically ill patients. In several intensive care units (ICUs), nurses are responsible for carrying out the measurements.

Aim

The aim of this study was to assess nurses' perception of their involvement in IC.

Study design

This was a prospective survey conducted in the surgical ICU of a French university hospital after 18 months of use of the Q‐NRG + ® calorimeter (COSMED©, Italy). All nurses who have used the calorimeter in the previous 6 months in this ICU were questioned through a questionnaire about their theoretical and practical knowledge and experience in using it.

Results

The participation rate was 93% (28/30 surveyed). All the respondents understood the objectives of performing an IC and 23 of them (82%) had used the device at least once in the previous 6 months. All the users thought it was pertinent that ICU nurses were in charge of the IC measurements, 16 of them (70%) reported having been formally trained, mostly by a colleague, and 17 (77%) felt comfortable with the device after 2 to 5 uses. The five non‐users (8%) did not have the opportunity to do so. Theoretical and practical knowledge could be improved as only 5 of the users (22%) declared to know the main criteria of reliability of the IC measurement and 4 of them (18%) declared to know the maintenance and cleaning protocol of the device.

Conclusion

Nurses quickly felt comfortable with the Q‐NRG + ® in this ICU. Formal initial and ongoing training of all staff completing IC is essential to perform IC measurements safely and to obtain reliable and interpretable results in practice.

Relevance to Clinical Practice

Involving the nursing team in nutritional care, even if it is technical, seems to bring satisfaction in terms of overall patient care.
Perceived barriers of family‐centred care in neonatal intensive care units: A qualitative study
Authors: Abukari Alhassan Sibdow , Schmollgruber Shelley
Published: January 2024

Background

Family‐centered care (FCC) approach in neonatal intensive care units (NICUs) has been shown to improve family satisfaction and quality of care. However, several contextual barriers influence its use in NICUs, and these barriers are understudied in Ghana.

Aim

To describe FCC practice in Ghanaian NICUs in order to understand the contextual barriers.

Study Design

The study employed a descriptive qualitative design. The researchers used a structured interview guide to collect the data in 24 interviews and 12 focus group discussions. We engaged families (n = 42), nurses and midwives (n = 33), and doctors (n = 9) to describe their perspectives on the barriers to FCC in two public tertiary hospital NICUs. The data were mapped, triangulated, and aggregated to inform the findings. Thematic analysis and MAXQDA qualitative software version 2020 were employed to analyse the data. This qualitative study followed the COREQ guidelines and checklist.

Results

Perceived family barriers and perceived facility barriers to FCC were the two main themes. The perceived family barriers include family stress and anxiety, inadequate information sharing and education, culture and religion. The perceived facility barriers are inadequate space and logistics, workload and inadequate staff, restricted entry, and negative staff attitudes.

Conclusion

The findings of this study shed light on the barriers to FCC practice in neonatal care in Ghanaian NICUs. Family stress and anxiety, a lack of information sharing, cultures and religious beliefs, NICU workload and staffing shortages, restrictions on family entry into NICUs, and staff attitudes towards families are all contextual barriers to FCC practice.

Relevance to Clinical Practice

Health facility managers and NICU staff may consider addressing these barriers to implement FCC in the NICU in order to enhance family satisfaction and quality neonatal care. The design of future NICUs should consider family comfort zones and subunits to accommodate families and their sick infants for optimal health care outcomes. The development of communication models and guidelines for respectful NICU care may aid in integrating families into ICUs and promoting quality health care outcomes.
Rapid in situ diversification rates in Rhamnaceae explain the parallel evolution of high diversity in temperate biomes from global to local scales
Authors: Tian Qin , Stull Gregory W. , Kellermann Jürgen , Medan Diego , Nge Francis J. , Liu Shui‐Yin , Kates Heather R. , Soltis Douglas E. , Soltis Pamela S. , Guralnick Robert P. , Folk Ryan A. , Onstein Renske E. , Yi Ting‐Shuang
Published: January 2024

The macroevolutionary processes that have shaped biodiversity across the temperate realm remain poorly understood and may have resulted from evolutionary dynamics related to diversification rates, dispersal rates, and colonization times, closely coupled with Cenozoic climate change.

We integrated phylogenomic, environmental ordination, and macroevolutionary analyses for the cosmopolitan angiosperm family Rhamnaceae to disentangle the evolutionary processes that have contributed to high species diversity within and across temperate biomes.

Our results show independent colonization of environmentally similar but geographically separated temperate regions mainly during the Oligocene, consistent with the global expansion of temperate biomes. High global, regional, and local temperate diversity was the result of high in situ diversification rates, rather than high immigration rates or accumulation time, except for Southern China, which was colonized much earlier than the other regions. The relatively common lineage dispersals out of temperate hotspots highlight strong source‐sink dynamics across the cosmopolitan distribution of Rhamnaceae.

The proliferation of temperate environments since the Oligocene may have provided the ecological opportunity for rapid in situ diversification of Rhamnaceae across the temperate realm. Our study illustrates the importance of high in situ diversification rates for the establishment of modern temperate biomes and biodiversity hotspots across spatial scales.
The halothane era in pediatric anesthesia: The convergence of a cardiac depressant anesthetic with the immature myocardium of infancy
Authors: Friesen Robert H.
Published: January 2024

Introduced in the late 1950s, halothane became the anesthetic of choice for inhalational induction of children for over 40 years. Halothane enjoyed a generally favorable safety record during its time, but its cardiac contractility depressant effect—well tolerated by most age groups—was profoundly heightened in neonates and infants, leading to increased incidences of hypotension and cardiac arrest. The neonatal myocardium is immature and is characterized by poor ventricular compliance, poor contractility due to fewer contractile elements, immature sympathetic innervation with decreased norepinephrine stores, and immature mechanisms for storage and exchange of calcium in the sarcoplasmic reticulum. In vitro studies of myocardial contractility of mammalian fetal and adult myocardium demonstrated that the fetal heart was twice as sensitive to halothane as the adult. Clinical studies demonstrated that most neonates and infants less than 6 months of age experienced hypotension during halothane induction of anesthesia and significantly (p < .01) greater decreases in blood pressure than older children at equipotent concentrations of halothane. Intraoperative cardiac arrest during the halothane era occurred over twice as frequently in neonates aged less than 1 month than in infants aged 1–12 months and nearly 10 times more frequently than children 1–5 years of age. Halothane was associated with 66% of intraoperative drug‐related cardiac arrests in children. The halothane era began to close in the late 1990s with the introduction of sevoflurane, which had a more favorable hemodynamic profile. Shortly thereafter, halothane was completely displaced from pediatric anesthesia practice in North America.
External jasmonic acid isoleucine mediates amplification of plant elicitor peptide receptor (PEPR) and jasmonate‐based immune signalling
Authors: Mittal Deepika , Gautam Janesh Kumar , Varma Mahendra , Laie Amrutha , Mishra Shruti , Behera Smrutisanjita , Vadassery Jyothilakshmi
Published: January 2024

Jasmonic acid‐isoleucine (JA‐Ile) is a plant defence hormone whose cellular levels are elevated upon herbivory and regulate defence signalling. Despite their pivotal role, our understanding of the rapid cellular perception of bioactive JA‐Ile is limited. This study identifies cell type‐specific JA‐Ile‐induced Ca2+ signal and its role in self‐amplification and plant elicitor peptide receptor (PEPR)‐mediated signalling. Using the Ca2+ reporter, R‐GECO1 in Arabidopsis, we have characterized a monophasic and sustained JA‐Ile‐dependent Ca2+ signature in leaf epidermal cells. The rapid Ca2+ signal is independent of positive feedback by the JA‐Ile receptor, COI1 and the transporter, JAT1. Microarray analysis identified up‐regulation of receptors, PEPR1 and PEPR2 upon JA‐Ile treatment. The pepr1 pepr2 double mutant in R‐GECO1 background exhibits impaired external JA‐Ile induced Ca2+cyt elevation and impacts the canonical JA‐Ile responsive genes. JA responsive transcription factor, MYC2 binds to the G‐Box motif of PEPR1 and PEPR2 promoter and activates their expression upon JA‐Ile treatment and in myc2 mutant, this is reduced. External JA‐Ile amplifies AtPep‐PEPR pathway by increasing the AtPep precursor, PROPEP expression. Our work shows a previously unknown non‐canonical PEPR‐JA‐Ile‐Ca2+‐MYC2 signalling module through which plants sense JA‐Ile rapidly to amplify both AtPep‐PEPR and jasmonate signalling in undamaged cells.
Concerns about the histological assessment in a mouse model of human celiac disease
Authors: Freitag Tobias L. , Andersson Leif C. , Kipar Anja
Published: January 2024

Commentary on: Abadie V et al. IL‐15, gluten and HLA‐DQ8 drive tissue destruction in coeliac disease. Nature. 2020; 578: 600‐604.
Predictive model for CAR‐T cell therapy success in patients with relapsed/refractory B‐cell acute lymphoblastic leukaemia
Authors: Pu Lianfang , Wang Huiping , Wu Fan , An Furun , Xiao Hao , Wang Yangyang , Liang Xue , Zhai Zhimin
Published: January 2024

Chimeric antigen receptor T‐cell (CAR‐T) therapy has demonstrated remarkable efficacy in treating relapsed/refractory acute B‐cell lymphoblastic leukaemia (R/R B‐ALL). However, a subset of patients does not benefit from CAR‐T therapy. Our study aims to identify predictive indicators and establish a model to evaluate the feasibility of CAR‐T therapy. Fifty‐five R/R B‐ALL patients and 22 healthy donors were enrolled. Peripheral blood lymphocyte subsets were analysed using flow cytometry. Sensitivity, specificity, accuracy, positive and negative predictive values and receiver operating characteristic (ROC) areas under the curve (AUC) were determined to evaluate the predictive values of the indicators. We identified B lymphocyte, regulatory T cell (Treg) and peripheral blood minimal residual leukaemia cells (B‐MRD) as indicators for predicting the success of CAR‐T cell preparation with AUC 0.936, 0.857 and 0.914. Furthermore, a model based on CD3+ T count, CD4+ T/CD8+ T ratio, Treg and extramedullary diseases (EMD) was used to predict the response to CAR‐T therapy with AUC of 0.938. Notably, a model based on CD4+ T/CD8+ T ratio, B, Treg and EMD were used in predicting the success of CAR‐T therapy with AUC 0.966 [0.908–1.000], with specificity (92.59%) and sensitivity (91.67%). In the validated group, the predictive model predicted the success of CAR‐T therapy with specificity (90.91%) and sensitivity (100%). We have identified several predictive indicators for CAR‐T cell therapy success and a model has demonstrated robust predictive capacity for the success of CAR‐T therapy. These results show great potential for guiding informed clinical decisions in the field of CAR‐T cell therapy.
Downscaling platelet cryopreservation: Are platelets frozen in tubes comparable to standard cryopreserved platelets?
Authors: Waters Lauren , Marks Denese C. , Johnson Lacey
Published: January 2024

Background

Platelet cryopreservation extends the shelf‐life to at least 2 years. However, platelets are altered during the freeze/thaw process. Downscaling platelet cryopreservation by freezing in tubes would enable rapid screening of novel strategies to improve the quality of cryopreserved platelets (CPPs). The aim of this study was to characterize the effect of freezing conditions on the in vitro phenotype and function of platelets frozen in a low volume compared to standard CPPs.

Methods

Platelets were prepared for cryopreservation using 5%–6% DMSO and processed using standard protocols or aliquoted into 2 mL tubes. Platelets were hyperconcentrated to 25 mL (standard CPPs) or 200 μL (tubes) before freezing at −80°C (n = 8). Six insulators/controlled rate freezing containers were used to vary the freezing rate of platelets in tubes. Platelets were thawed, resuspended in plasma, and then assessed by flow cytometry and thromboelastography.

Results

The use of different insulators for tubes changed the freezing rate of platelets compared to platelets frozen using the standard protocol (p < .001). However, this had no impact on the recovery of the platelets (p = .87) or the proportion of platelets expressing GPIbα (p = .46) or GPVI (p = .07), which remained similar between groups. A lower proportion of platelets frozen in tubes externalized phosphatidylserine compared to standard CPPs (p < .001). The clot‐forming ability (thromboelastography) of platelets was similar between groups (p > .05).

Conclusion

Freezing platelets in tubes modified the freezing rate and altered some platelet characteristics. However, the functional characteristics remained comparable, demonstrating the feasibility of downscaling platelet cryopreservation for high‐throughput exploratory investigations.
Control of microstructure and composition of reactively sputtered vanadium nitride thin films based on hysteresis curves and application to microsupercapacitors
Authors: Lebreton Allan , Besland Marie-Paule , Jouan Pierre-Yves , Signe Tatiana , Mannequin Cédric , Richard-Plouet Mireille , Le Granvalet Maryline , Lethien Christophe , Brousse Thierry , Barbé Jérémy
Published: January 2024

Vanadium nitride (VN) thin films were prepared by reactive DC magnetron sputtering of a vanadium target using nitrogen as reactive gas. The structural, morphological, and compositional evolution of these films is described based on hysteresis diagrams plotting the sputtering power versus nitrogen flow rate. These diagrams, measured across various cathode voltages and discharge pressures, unveil three distinct deposition regimes: metallic, intermediate, and contaminated. The microstructure of the films was found to be closely linked to the deposition regime, ranging from dense and amorphous in the metallic regime to porous and crystalline in the contaminated regime, while the composition varies from vanadium-rich to near-stoichiometric VN. Sputtered VN thin films used as electrodes for microsupercapacitors were investigated by cyclic voltammetry. Results highlight that the intermediate deposition regime, characterized by high crystallinity and porosity, yields the highest capacitance values, above 900 F cm−3. Such high volumetric capacitance is attributed to the highly porous structure and large specific surface area. In addition, in these deposition conditions, films are composed of crystalline VN with a significant amount of amorphous VOx on the surface, which allow these thin film electrodes to behave both as current collectors and pseudocapacitive electrodes. This work gives detailed insights into VN thin film microstructure and composition in reactive sputtering based on hysteresis curves. It emphasizes how we could use these curves to target specific microstructure, composition, and eventually achieve functional properties. In particular, these findings have important implications for the design and optimization of microstructured electrodes for energy storage applications.
Exploring the relationship between sputter-deposition conditions and electrochemical response of ZrO2 films on biodegradable MgZnCa alloy
Authors: Millán-Ramos Benjamin , Victoria-Hernández José , Letzig Dietmar , Rodil Sandra E.
Published: January 2024

In this work, we investigated the enhancement of corrosion resistance in a biodegradable Mg-0.7Zn-0.6Ca (wt. %) alloy (MgZnCa) by applying ZrO2 thin films deposited via reactive magnetron sputtering. We employed a fractional factorial experimental design to systematically examine the influence of the deposition power, deposition time, and O2 fraction on the effectiveness of the ZrO2 thin film in preventing corrosion of the Mg alloy. Our analysis revealed that the ZrO2 thin films exhibited a monoclinic crystal phase and maintained stoichiometry across various O2 fractions. Interestingly, we observed a 78% roughness reduction when using the lowest O2 fraction, while roughness increased with the deposition power and time. The corrosion response of bare and ZrO2-coated MgZnCa alloy was assessed by electrochemical techniques and detection of H2 production during the Mg corrosion via gas chromatography. The optimal set of deposition conditions, essential for enhancing the short-term corrosion resistance of magnetron-sputtered ZrO2 coatings, involves maximizing thickness through high power (400 W) and extended deposition time (90 min). It is crucial to balance these factors while maintaining an appropriate O2 fraction (20%) to ensure the formation of a stoichiometric film. Avoiding excess oxygen is imperative, as it can lead to undesirable intergranular porosity and surface roughness. This optimization resulted in a 46% reduction in the evolution of H2 gas compared to the bare MgZnCa alloy. Overall, this work sheds light on the potential of ZrO2 thin films as effective corrosion-resistant coatings for MgZnCa alloys, emphasizing the critical role of deposition parameters in achieving superior protection against corrosion.
In situ and ex situ quantification of nanoparticle fluxes in magnetron sputter inert gas condensation: A Cu nanoparticle case study
Authors: Knabl Florian , Bandl Christine , Griesser Thomas , Mitterer Christian
Published: January 2024

Magnetron sputter inert gas condensation was coupled with quadrupole mass spectrometry for the in situ characterization of a nanoparticle beam. The proposed method allows us to determine the size distribution and the mass flux of the nanoparticles. The measured quadrupole mass spectrometer grid current is converted into a nanoparticle flux and subsequently into a mass flux. Cu nanoparticles were deposited onto Si substrates using different filtering modes of the quadrupole mass spectrometer. Characterization was carried out using a combination of x-ray photoelectron spectroscopy and scanning electron microscopy. Quantitative analysis of the elemental composition of the Si surface revealed a Gaussian distribution of the deposited nanoparticles over the diameter of the rotating substrate holder with a good quantitative agreement with the predictions made from the in situ quantification method.
Fast grip force adaptation to friction relies on localized fingerpad strains
Authors: Delhaye Benoit P. , Schiltz Félicien , Crevecoeur Frédéric , Thonnard Jean-Louis , Lefèvre Philippe
Published: January 2024

During object manipulation, humans adjust the grip force to friction, such that slippery objects are squeezed more firmly than sticky ones. This essential mechanism to keep a stable grasp relies on feedback from tactile afferents innervating the fingertips, that are sensitive to local skin strains. To test if this feedback originates from the skin-object interface, we asked participants to perform a grip-lift task with an instrumented object able to monitor skin strains at the contact through transparent plates of different frictions. We observed that, following an unbeknown change in plate across trials, participants adapted their grip force to friction. After switching from high to low friction, we found a significant increase in strain inside the contact arising ~100 ms before the modulation of grip force, suggesting that differences in strain patterns before lift-off are used by the nervous system to quickly adjust the force to the frictional properties of manipulated objects.
Single-pixel transmission matrix recovery via two-photon fluorescence
Authors: Zhao Shupeng , Rauer Bernhard , Valzania Lorenzo , Dong Jonathan , Liu Ruifeng , Li Fuli , Gigan Sylvain , de Aguiar Hilton B.
Published: January 2024

Imaging at depth in opaque materials has long been a challenge. Recently, wavefront shaping has enabled notable advance for deep imaging. Nevertheless, most noninvasive wavefront-shaping methods require cameras, lack the sensitivity for deep imaging under weak optical signals, or can only focus on a single “guidestar.” Here, we retrieve the transmission matrix (TM) noninvasively using two-photon fluorescence exploiting a single-pixel detection combined with a computational framework, allowing to achieve single-target focus on multiple guidestars spread beyond the memory effect range. In addition, if we assume that memory effect correlations exist in the TM, we are able to substantially reduce the number of measurements needed.
Adapting to disruptions: Managing supply chain resilience through product rerouting
Authors: Amico Ambra , Verginer Luca , Casiraghi Giona , Vaccario Giacomo , Schweitzer Frank
Published: January 2024

Supply chain disruptions may cause shortages of essential goods, affecting millions of individuals. We propose a perspective to address this problem via reroute flexibility. This is the ability to substitute and reroute products along existing pathways, hence without requiring the creation of new connections. To showcase the potential of this approach, we examine the US opioid distribution system. We reconstruct over 40 billion distribution routes and quantify the effectiveness of reroute flexibility in mitigating shortages. We demonstrate that flexibility (i) reduces the severity of shortages and (ii) delays the time until they become critical. Moreover, our findings reveal that while increased flexibility alleviates shortages, it comes at the cost of increased complexity: We demonstrate that reroute flexibility increases alternative path usage and slows down the distribution system. Our method enhances decision-makers’ ability to manage the resilience of supply chains.
Selective formation of metastable polymorphs in solid-state synthesis
Authors: Zeng Yan , Szymanski Nathan J. , He Tanjin , Jun KyuJung , Gallington Leighanne C. , Huo Haoyan , Bartel Christopher J. , Ouyang Bin , Ceder Gerbrand
Published: January 2024

Metastable polymorphs often result from the interplay between thermodynamics and kinetics. Despite advances in predictive synthesis for solution-based techniques, there remains a lack of methods to design solid-state reactions targeting metastable materials. Here, we introduce a theoretical framework to predict and control polymorph selectivity in solid-state reactions. This framework presents reaction energy as a rarely used handle for polymorph selection, which influences the role of surface energy in promoting the nucleation of metastable phases. Through in situ characterization and density functional theory calculations on two distinct synthesis pathways targeting LiTiOPO
4
, we demonstrate how precursor selection and its effect on reaction energy can effectively be used to control which polymorph is obtained from solid-state synthesis. A general approach is outlined to quantify the conditions under which metastable polymorphs are experimentally accessible. With comparison to historical data, this approach suggests that using appropriate precursors could enable targeted materials synthesis across diverse chemistries through selective polymorph nucleation.
The lasting impact of formation cycling on the Li-ion kinetics between SEI and the Li-metal anode and its correlation with efficiency
Authors: Zhang Shengnan , Li Yuhang , Bannenberg Lars J. , Liu Ming , Ganapathy Swapna , Wagemaker Marnix
Published: January 2024

Formation cycling is a critical process aimed at improving the performance of lithium ion (Li-ion) batteries during subsequent use. Achieving highly reversible Li-metal anodes, which would boost battery energy density, is a formidable challenge. Here, formation cycling and its impact on the subsequent cycling are largely unexplored. Through solid-state nuclear magnetic resonance (ssNMR) spectroscopy experiments, we reveal the critical role of the Li-ion diffusion dynamics between the electrodeposited Li-metal (ED-Li) and the as-formed solid electrolyte interphase (SEI). The most stable cycling performance is realized after formation cycling at a relatively high current density, causing an optimum in Li-ion diffusion over the Li-metal-SEI interface. We can relate this to a specific balance in the SEI chemistry, explaining the lasting impact of formation cycling. Thereby, this work highlights the importance and opportunities of regulating initial electrochemical conditions for improving the stability and life cycle of lithium metal batteries.
Doubling the life of Cu/ZnO methanol synthesis catalysts via use of Si as a structural promoter to inhibit sintering
Authors: Barrow Nathan , Bradley Jonathan , Corrie Benjamin , Cui Youxin , Tran Trung Dung , Erden Tugce Eralp , Fish Andrew , Garcia Monica , Glen Pauline , Mistry Neetisha , Nicholson Michael , Roloff-Standring Simone , Sheldon Daniel , Smith Thomas , Summer Aron , Din Kaamila Un , Macleod Norman
Published: January 2024

Cu/ZnO/Al
2
O
3
catalysts used to synthesize methanol undergo extensive deactivation during use, mainly due to sintering. Here, we report on formulations wherein deactivation has been substantially reduced by the targeted use of a small quantity of a Si-based promoter, resulting in accrued activity benefits that can exceed a factor of 1.8 versus unpromoted catalysts. This enhanced stability also provides longer lifetimes, up to double that of prior generation catalysts. Detailed characterization of a library of aged catalysts has allowed the most important deactivation mechanisms to be established and the chemical state of the silicon promoter to be identified. We show that silicon is incorporated within the ZnO lattice, providing a pronounced improvement in the hydrothermal stability of this component. These findings have important implications for sustainable methanol production from H
2
and CO
2
.
Fast and converged classical simulations of evidence for the utility of quantum computing before fault tolerance
Authors: Begušić Tomislav , Gray Johnnie , Chan Garnet Kin-Lic
Published: January 2024

A recent quantum simulation of observables of the kicked Ising model on 127 qubits implemented circuits that exceed the capabilities of exact classical simulation. We show that several approximate classical methods, based on sparse Pauli dynamics and tensor network algorithms, can simulate these observables orders of magnitude faster than the quantum experiment and can also be systematically converged beyond the experimental accuracy. Our most accurate technique combines a mixed Schrödinger and Heisenberg tensor network representation with the Bethe free entropy relation of belief propagation to compute expectation values with an effective wave function–operator sandwich bond dimension >16,000,000, achieving an absolute accuracy, without extrapolation, in the observables of <0.01, which is converged for many practical purposes. We thereby identify inaccuracies in the experimental extrapolations and suggest how future experiments can be implemented to increase the classical hardness.
Predicting success in Cu-catalyzed C–N coupling reactions using data science
Authors: Samha Mohammad H. , Karas Lucas J. , Vogt David B. , Odogwu Emmanuel C. , Elward Jennifer , Crawford Jennifer M. , Steves Janelle E. , Sigman Matthew S.
Published: January 2024

Data science is assuming a pivotal role in guiding reaction optimization and streamlining experimental workloads in the evolving landscape of synthetic chemistry. A discipline-wide goal is the development of workflows that integrate computational chemistry and data science tools with high-throughput experimentation as it provides experimentalists the ability to maximize success in expensive synthetic campaigns. Here, we report an end-to-end data-driven process to effectively predict how structural features of coupling partners and ligands affect Cu-catalyzed C–N coupling reactions. The established workflow underscores the limitations posed by substrates and ligands while also providing a systematic ligand prediction tool that uses probability to assess when a ligand will be successful. This platform is strategically designed to confront the intrinsic unpredictability frequently encountered in synthetic reaction deployment.
Commensal antimicrobial resistance mediates microbiome resilience to antibiotic disruption
Authors: Bhattarai Shakti K. , Du Muxue , Zeamer Abigail L. , M. Morzfeld Benedikt , Kellogg Tasia D. , Firat Kaya , Benjamin Anna , Bean James M. , Zimmerman Matthew , Mardi Gertrude , Vilbrun Stalz Charles , Walsh Kathleen F. , Fitzgerald Daniel W. , Glickman Michael S. , Bucci Vanni
Published: January 2024

Despite their therapeutic benefits, antibiotics exert collateral damage on the microbiome and promote antimicrobial resistance. However, the mechanisms governing microbiome recovery from antibiotics are poorly understood. Treatment of
Mycobacterium tuberculosis
, the world’s most common infection, represents the longest antimicrobial exposure in humans. Here, we investigate gut microbiome dynamics over 20 months of multidrug-resistant tuberculosis (TB) and 6 months of drug-sensitive TB treatment in humans. We find that gut microbiome dynamics and TB clearance are shared predictive cofactors of the resolution of TB-driven inflammation. The initial severe taxonomic and functional microbiome disruption, pathobiont domination, and enhancement of antibiotic resistance that initially accompanied long-term antibiotics were countered by later recovery of commensals. This resilience was driven by the competing evolution of antimicrobial resistance mutations in pathobionts and commensals, with commensal strains with resistance mutations reestablishing dominance. Fecal-microbiota transplantation of the antibiotic-resistant commensal microbiome in mice recapitulated resistance to further antibiotic disruption. These findings demonstrate that antimicrobial resistance mutations in commensals can have paradoxically beneficial effects by promoting microbiome resilience to antimicrobials and identify microbiome dynamics as a predictor of disease resolution in antibiotic therapy of a chronic infection.
Fusion peptide–directed antibodies: Humoral armor against HIV-1 infection
Authors: Klasse P. J.
Published: January 2024

Infused neutralizing antibodies to the fusion peptide of the HIV envelope glycoprotein protected macaques from mucosal viral challenge (Pegu
et al.
).
Wastewater contaminants in a fractured bedrock aquifer and their potential use as enteric virus indicators
Authors: Race Amy S. , Spoelstra John , Parker Beth L.
Published: January 2024

Domestic wastewater is a source of persistent organic pollutants and pathogens to the aquatic environment, including groundwater aquifers. Wastewater contaminants include a variety of personal care products, pharmaceuticals, endocrine disrupters, bacteria, and viruses. Groundwater from 22 wells completed in a semi-confined to confined, fractured Silurian dolostone aquifer in southern Wellington County, Ontario, Canada, was analyzed for 14 organic wastewater contaminants (4 artificial sweeteners, 10 pharmaceuticals) as well as
E. coli
, total coliforms, and 6 human enteric viruses. Enteric viruses were detected in 8.6% of 116 samples, and at least one organic wastewater contaminant was detected in 82% of the wells (in order of decreasing detection frequency: acesulfame, ibuprofen, sulfamethoxazole, triclosan, carbamazepine, and saccharin). Virus indicator metrics [positive and negative predictive values (PPV, NPV), sensitivity, specificity] were calculated at the sample and well level for the organic wastewater compounds,
E. coli
, and total coliforms. Fecal bacteria were not good predictors of virus presence (PPV = 0%–8%). Of the potential chemical indicators, triclosan performed the best at the sample level (PPV = 50%, NPV = 100%), and ibuprofen performed the best at the well level (PPV = 60%, NPV = 67%); however, no samples had triclosan or ibuprofen concentrations above their practical quantification limits. Therefore, none of the compounds performed sufficiently well to be considered reliable for assessing the potential threat of enteric viruses in wastewater-impacted groundwater in this bedrock aquifer. Future studies need to evaluate the indicator potential of persistent organic wastewater contaminants in different types of aquifers, especially in fractured rock where heterogeneity is strong.

IMPORTANCE

Assessing the potential risk that human enteric viruses pose in groundwater aquifers used for potable water supply is complicated by several factors, including: (i) labor-intensive methods for the isolation and quantification of viruses in groundwater, (ii) the temporal variability of these viruses in domestic wastewater, and (iii) their potentially rapid transport in the subsurface, especially in fractured rock aquifers. Therefore, aquifer risk assessment would benefit from the identification of suitable proxy indicators of enteric viruses that are easier to analyze and less variable in wastewater sources. Traditional fecal indicators (e.g.,
E. coli
and coliforms) are generally poor indicators of enteric viruses in groundwater. While many studies have examined the use of pharmaceutical and personal care products as tracers of domestic wastewater and fecal pollution in the environment, there is a paucity of data on the potential use of these chemical tracers as enteric virus indicators, especially in groundwater.
Decarboxylase activity of the non-starter lactic acid bacterium
Loigolactobacillus rennini
gives crack defects in Gouda cheese through the production of γ-aminobutyric acid
Authors: Decadt Hannes , Vermote Louise , Díaz-Muñoz Cristian , Weckx Stefan , De Vuyst Luc
Published: January 2024

Ten Gouda cheese wheels with an age of 31 weeks from six different batch productions were affected by a crack defect and displayed an unpleasant off-flavor. To unravel the causes of these defects, the concentrations of free amino acids, other organic acids, volatile organic compounds, and biogenic amines were quantified in zones around the cracks and in zones without cracks, and compared with those of similar Gouda cheeses without crack defect. The Gouda cheeses with cracks had a significantly different metabolome. The production of the non-proteinogenic amino acid γ-aminobutyric acid (GABA) could be unraveled as the key mechanism leading to crack formation, although the production of the biogenic amines cadaverine and putrescine contributed as well. High-throughput amplicon sequencing of the full-length 16S rRNA gene based on whole-community DNA revealed the presence of
Loigolactobacillus rennini
and
Tetragenococcus halophilus
as most abundant non-starter lactic acid bacteria in the zones with cracks. Shotgun metagenomic sequencing allowed to obtain a metagenome-assembled genome of both
Loil. rennini
and
T. halophilus
. However, only
Loil. rennini
contained genes necessary for the production of GABA, cadaverine, and putrescine. Metagenetics further revealed the brine and the rennet used during cheese manufacturing as the most plausible inoculation sources of both
Loil. rennini
and
T. halophilus
.

IMPORTANCE

Crack defects in Gouda cheeses are still poorly understood, although they can lead to major economic losses in cheese companies. In this study, the bacterial cause of a crack defect in Gouda cheeses was identified, and the pathways involved in the crack formation were unraveled. Moreover, possible contamination sources were identified. The brine bath might be a major source of bacteria with the potential to deteriorate cheese quality, which suggests that cheese producers should regularly investigate the quality and microbial composition of their brines. This study illustrated how a multiphasic approach can understand and mitigate problems in a cheese company.
Exogenous methionine contributes to reversing the resistance of
Streptococcus suis
to macrolides
Authors: Dong Chun-Liu , Wu Tong , Dong Yue , Qu Qian-Wei , Chen Xue-Ying , Li Yan-Hua
Published: January 2024

Streptococcus suis
(
S. suis
) has been increasingly recognized as a porcine zoonotic pathogen that threatens the health of both pigs and humans. Multidrug-resistant
Streptococcus suis
is becoming increasingly prevalent, and novel strategies to treat bacterial infections caused by these organisms are desperately needed. In the present study, an untargeted metabolomics analysis showed that the significant decrease in methionine content and the methionine biosynthetic pathway were significantly affected by the Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis in drug-resistant
S. suis
. The addition of L-methionine restored the bactericidal activity of macrolides, doxycycline, and ciprofloxacin on
S. suis in vivo
and
in vitro
. Further studies showed that the exogenous addition of methionine affects methionine metabolism by reducing S-adenosylmethionine synthetase activity and the contents of S-adenosylmethionine, S-adenosyl homocysteine, and S-ribose homocysteine. Methionine can decrease the total methylation level and methylesterase activity in multidrug resistant
S. suis
. The drug transport proteins and efflux pump genes were significantly downregulated in
S. suis
by exogenous L-methionine. Moreover, the exogenous addition of methionine can reduce the survival of
S. suis
by affecting oxidative stress and metal starvation in bacteria. Thus, L-methionine may influence the development of resistance in
S. suis
through methyl metabolism and metal starvation. This study provides a new perspective on the mitigation of drug resistance in
S. suis
.

IMPORTANCE

Bacterial antibiotic resistance has become a severe threat to human and animal health. Increasing the efficacy of existing antibiotics is a promising strategy against antibiotic resistance. Here, we report that L-methionine enhances the efficacy of macrolides, doxycycline, and ciprofloxacin antibiotics in killing
Streptococcus suis
, including multidrug-resistant pathogens. We investigated the mechanism of action of exogenous methionine supplementation in restoring macrolides in
Streptococcus suis
and the role of the methionine cycle pathway on methylation levels, efflux pump genes, oxidative stress, and metal starvation in
Streptococcus suis
. It provides a theoretical basis for the rational use of macrolides in clinical practice and also identifies a possible target for restoring drug resistance in
Streptococcus suis
.
Longitudinal gut microbiota composition of South African and Nigerian infants in relation to tetanus vaccine responses
Authors: Iwase Saori C. , Osawe Sophia , Happel Anna-Ursula , Gray Clive M. , Holmes Susan P. , Blackburn Jonathan M. , Abimiku Alash'le , Jaspan Heather B.
Published: January 2024

Infants who are exposed to HIV but uninfected (iHEU) have higher risk of infectious morbidity than infants who are HIV-unexposed and uninfected (iHUU), possibly due to altered immunity. As infant gut microbiota may influence immune development, we evaluated the effects of HIV exposure on infant gut microbiota and its association with tetanus toxoid vaccine responses. We evaluated the gut microbiota of 82 South African (61 iHEU and 21 iHUU) and 196 Nigerian (141 iHEU and 55 iHUU) infants at <1 and 15 weeks of life by 16S rRNA gene sequencing. Anti-tetanus antibodies were measured by enzyme-linked immunosorbent assay at matched time points. Gut microbiota in the 278 included infants and its succession were more strongly influenced by geographical location and age than by HIV exposure. Microbiota of Nigerian infants, who were exclusively breastfed, drastically changed over 15 weeks, becoming dominated by
Bifidobacterium longum
subspecies
infantis
. This change was not observed among South African infants, even when limiting the analysis to exclusively breastfed infants. The Least Absolute Shrinkage and Selection Operator regression suggested that HIV exposure and gut microbiota were independently associated with tetanus titers at week 15, and that high passively transferred antibody levels, as seen in the Nigerian cohort, may mitigate these effects. In conclusion, in two African cohorts, HIV exposure minimally altered the infant gut microbiota compared to age and setting, but both specific gut microbes and HIV exposure independently predicted humoral tetanus vaccine responses.

IMPORTANCE

Gut microbiota plays an essential role in immune system development. Since infants HIV-exposed and uninfected (iHEU) are more vulnerable to infectious diseases than unexposed infants, we explored the impact of HIV exposure on gut microbiota and its association with vaccine responses. This study was conducted in two African countries with rapidly increasing numbers of iHEU. Infant HIV exposure did not substantially affect gut microbial succession, but geographic location had a strong effect. However, both the relative abundance of specific gut microbes and HIV exposure were independently associated with tetanus titers, which were also influenced by baseline tetanus titers (maternal transfer). Our findings provide insight into the effect of HIV exposure, passive maternal antibody, and gut microbiota on infant humoral vaccine responses.