bluuebunny/crossref_metadata_2025 huggingface dataset:
Oligodendrocyte calcium signaling promotes actin-dependent myelin sheath extension
Authors: Iyer Manasi , Kantarci Husniye , Cooper Madeline H. , Ambiel Nicholas , Novak Sammy Weiser , Andrade Leonardo R. , Lam Mable , Jones Graham , Münch Alexandra E. , Yu Xinzhu , Khakh Baljit S. , Manor Uri , Zuchero J. Bradley
Published: January 2024

Myelin is essential for rapid nerve signaling and is increasingly found to play important roles in learning and in diverse diseases of the CNS. Morphological parameters of myelin such as sheath length are thought to precisely tune conduction velocity, but the mechanisms controlling sheath morphology are poorly understood. Local calcium signaling has been observed in nascent myelin sheaths and can be modulated by neuronal activity. However, the role of calcium signaling in sheath formation remains incompletely understood. Here, we use genetic tools to attenuate oligodendrocyte calcium signaling during myelination in the developing mouse CNS. Surprisingly, genetic calcium attenuation does not grossly affect the number of myelinated axons or myelin thickness. Instead, calcium attenuation causes myelination defects resulting in shorter, dysmorphic sheaths. Mechanistically, calcium attenuation reduces actin filaments in oligodendrocytes, and an intact actin cytoskeleton is necessary and sufficient to achieve accurate myelin morphology. Together, our work reveals a cellular mechanism required for accurate CNS myelin formation and may provide mechanistic insight into how oligodendrocytes respond to neuronal activity to sculpt and refine myelin sheaths.
Improving deep neural network generalization and robustness to background bias via layer-wise relevance propagation optimization
Authors: Bassi Pedro R. A. S. , Dertkigil Sergio S. J. , Cavalli Andrea
Published: January 2024

Features in images’ backgrounds can spuriously correlate with the images’ classes, representing background bias. They can influence the classifier’s decisions, causing shortcut learning (Clever Hans effect). The phenomenon generates deep neural networks (DNNs) that perform well on standard evaluation datasets but generalize poorly to real-world data. Layer-wise Relevance Propagation (LRP) explains DNNs’ decisions. Here, we show that the optimization of LRP heatmaps can minimize the background bias influence on deep classifiers, hindering shortcut learning. By not increasing run-time computational cost, the approach is light and fast. Furthermore, it applies to virtually any classification architecture. After injecting synthetic bias in images’ backgrounds, we compared our approach (dubbed ISNet) to eight state-of-the-art DNNs, quantitatively demonstrating its superior robustness to background bias. Mixed datasets are common for COVID-19 and tuberculosis classification with chest X-rays, fostering background bias. By focusing on the lungs, the ISNet reduced shortcut learning. Thus, its generalization performance on external (out-of-distribution) test databases significantly surpassed all implemented benchmark models.
Severe 21st-century ocean acidification in Antarctic Marine Protected Areas
Authors: Nissen Cara , Lovenduski Nicole S. , Brooks Cassandra M. , Hoppema Mario , Timmermann Ralph , Hauck Judith
Published: January 2024

Antarctic coastal waters are home to several established or proposed Marine Protected Areas (MPAs) supporting exceptional biodiversity. Despite being threatened by anthropogenic climate change, uncertainties remain surrounding the future ocean acidification (OA) of these waters. Here we present 21st-century projections of OA in Antarctic MPAs under four emission scenarios using a high-resolution ocean–sea ice–biogeochemistry model with realistic ice-shelf geometry. By 2100, we project pH declines of up to 0.36 (total scale) for the top 200 m. Vigorous vertical mixing of anthropogenic carbon produces severe OA throughout the water column in coastal waters of proposed and existing MPAs. Consequently, end-of-century aragonite undersaturation is ubiquitous under the three highest emission scenarios. Given the cumulative threat to marine ecosystems by environmental change and activities such as fishing, our findings call for strong emission-mitigation efforts and further management strategies to reduce pressures on ecosystems, such as the continuation and expansion of Antarctic MPAs.
Redirecting antibody responses from egg-adapted epitopes following repeat vaccination with recombinant or cell culture-based versus egg-based influenza vaccines
Authors: Liu Feng , Gross F. Liaini , Joshi Sneha , Gaglani Manjusha , Naleway Allison L. , Murthy Kempapura , Groom Holly C. , Wesley Meredith G. , Edwards Laura J. , Grant Lauren , Kim Sara S. , Sambhara Suryaprakash , Gangappa Shivaprakash , Tumpey Terrence , Thompson Mark G. , Fry Alicia M. , Flannery Brendan , Dawood Fatimah S. , Levine Min Z.
Published: January 2024

Repeat vaccination with egg-based influenza vaccines could preferentially boost antibodies targeting the egg-adapted epitopes and reduce immunogenicity to circulating viruses. In this randomized trial (Clinicaltrials.gov: NCT03722589), sera pre- and post-vaccination with quadrivalent inactivated egg-based (IIV4), cell culture-based (ccIIV4), and recombinant (RIV4) influenza vaccines were collected from healthcare personnel (18-64 years) in 2018−19 (N = 723) and 2019−20 (N = 684) influenza seasons. We performed an exploratory analysis. Vaccine egg-adapted changes had the most impact on A(H3N2) immunogenicity. In year 1, RIV4 induced higher neutralizing and total HA head binding antibodies to cell- A(H3N2) virus than ccIIV4 and IIV4. In year 2, among the 7 repeat vaccination arms (IIV4-IIV4, IIV4-ccIIV4, IIV4-RIV4, RIV4-ccIIV4, RIV4-RIV4, ccIIV4-ccIIV4 and ccIIV4-RIV4), repeat vaccination with either RIV4 or ccIIV4 further improved antibody responses to circulating viruses with decreased neutralizing antibody egg/cell ratio. RIV4 also had higher post-vaccination A(H1N1)pdm09 and A(H3N2) HA stalk antibodies in year 1, but there was no significant difference in HA stalk antibody fold rise among vaccine groups in either year 1 or year 2. Multiple seasons of non-egg-based vaccination may be needed to redirect antibody responses from immune memory to egg-adapted epitopes and re-focus the immune responses towards epitopes on the circulating viruses to improve vaccine effectiveness.
Drosophila activins adapt gut size to food intake and promote regenerative growth
Authors: Christensen Christian F. , Laurichesse Quentin , Loudhaief Rihab , Colombani Julien , Andersen Ditte S.
Published: January 2024

Rapidly renewable tissues adapt different strategies to cope with environmental insults. While tissue repair is associated with increased intestinal stem cell (ISC) proliferation and accelerated tissue turnover rates, reduced calorie intake triggers a homeostasis-breaking process causing adaptive resizing of the gut. Here we show that activins are key drivers of both adaptive and regenerative growth. Activin-β (Actβ) is produced by stem and progenitor cells in response to intestinal infections and stimulates ISC proliferation and turnover rates to promote tissue repair. Dawdle (Daw), a divergent Drosophila activin, signals through its receptor, Baboon, in progenitor cells to promote their maturation into enterocytes (ECs). Daw is dynamically regulated during starvation-refeeding cycles, where it couples nutrient intake with progenitor maturation and adaptive resizing of the gut. Our results highlight an activin-dependent mechanism coupling nutrient intake with progenitor-to-EC maturation to promote adaptive resizing of the gut and further establish activins as key regulators of adult tissue plasticity.
Mapping expectancy-based appetitive placebo effects onto the brain in women
Authors: Khalid Iraj , Rodrigues Belina , Dreyfus Hippolyte , Frileux Solène , Meissner Karin , Fossati Philippe , Hare Todd Anthony , Schmidt Liane
Published: January 2024

Suggestions about hunger can generate placebo effects on hunger experiences. But, the underlying neurocognitive mechanisms are unknown. Here, we show in 255 women that hunger expectancies, induced by suggestion-based placebo interventions, determine hunger sensations and economic food choices. Functional magnetic resonance imaging in a subgroup (n = 57/255) provides evidence that the strength of expecting the placebo to decrease hunger moderates medial prefrontal cortex activation at the time of food choice and attenuates ventromedial prefrontal cortex (vmPFC) responses to food value. Dorsolateral prefrontal cortex activation linked to interference resolution formally mediates the suggestion-based placebo effects on hunger. A drift-diffusion model characterizes this effect by showing that the hunger suggestions bias participants’ food choices and how much they weigh tastiness against the healthiness of food, which further moderates vmPFC–dlPFC psychophysiological interactions when participants expect decreased hunger. Thus, suggestion-induced beliefs about hunger shape hunger addressing economic choices through cognitive regulation of value computation within the prefrontal cortex.
Spin-related Cu-Co pair to increase electrochemical ammonia generation on high-entropy oxides
Authors: Sun Shengnan , Dai Chencheng , Zhao Peng , Xi Shibo , Ren Yi , Tan Hui Ru , Lim Poh Chong , Lin Ming , Diao Caozheng , Zhang Danwei , Wu Chao , Yu Anke , Koh Jie Cheng Jackson , Lieu Wei Ying , Seng Debbie Hwee Leng , Sun Libo , Li Yuke , Tan Teck Leong , Zhang Jia , Xu Zhichuan J. , Seh Zhi Wei
Published: January 2024

The electrochemical conversion of nitrate to ammonia is a way to eliminate nitrate pollutant in water. Cu-Co synergistic effect was found to produce excellent performance in ammonia generation. However, few studies have focused on this effect in high-entropy oxides. Here, we report the spin-related Cu-Co synergistic effect on electrochemical nitrate-to-ammonia conversion using high-entropy oxide Mg0.2Co0.2Ni0.2Cu0.2Zn0.2O. In contrast, the Li-incorporated MgCoNiCuZnO exhibits inferior performance. By correlating the electronic structure, we found that the Co spin states are crucial for the Cu-Co synergistic effect for ammonia generation. The Cu-Co pair with a high spin Co in Mg0.2Co0.2Ni0.2Cu0.2Zn0.2O can facilitate ammonia generation, while a low spin Co in Li-incorporated MgCoNiCuZnO decreases the Cu-Co synergistic effect on ammonia generation. These findings offer important insights in employing the synergistic effect and spin states inside for selective catalysis. It also indicates the generality of the magnetic effect in ammonia synthesis between electrocatalysis and thermal catalysis.
Helical-caging enables single-emitted large asymmetric full-color circularly polarized luminescence
Authors: Zhou Yajie , Wang Yaxin , Song Yonghui , Zhao Shanshan , Zhang Mingjiang , Li Guangen , Guo Qi , Tong Zhi , Li Zeyi , Jin Shan , Yao Hong-Bin , Zhu Manzhou , Zhuang Taotao
Published: January 2024

Colorful circularly polarized luminescence materials are desired for 3D displays, information security and asymmetric synthesis, in which single-emitted materials are ideal owing to self-absorption avoidance, evenly entire-visible-spectrum-covered photon emission and facile device fabrication. However, restricted by the synthesis of chiral broad-luminescent emitters, the realization and application of high-performing single-emitted full-color circularly polarized luminescence is in its infancy. Here, we disclose a single-emitted full-color circularly polarized luminescence system (spiral full-color emission generator), composed of whole-vis-spectrum emissive quantum dots and chiral liquid crystals. The system achieves a maximum luminescence dissymmetry factor of 0.8 and remains an order of 10−1 in visible region by tuning its photonic bandgap. We then expand it to a series of desired customized-color circularly polarized luminescence, build chiral devices and further demonstrate the working scenario in the photoinduced enantioselective polymerization. This work contributes to the design and synthesis of efficient chiroptical materials, device fabrication and photoinduced asymmetric synthesis.
A compendium of genetic regulatory effects across pig tissues
Authors: Teng Jinyan , Gao Yahui , Yin Hongwei , Bai Zhonghao , Liu Shuli , Zeng Haonan ,   The PigGTEx Consortium, Bai Lijing , Cai Zexi , Zhao Bingru , Li Xiujin , Xu Zhiting , Lin Qing , Pan Zhangyuan , Yang Wenjing , Yu Xiaoshan , Guan Dailu , Hou Yali , Keel Brittney N. , Rohrer Gary A. , Lindholm-Perry Amanda K. , Oliver William T. , Ballester Maria , Crespo-Piazuelo Daniel , Quintanilla Raquel , Canela-Xandri Oriol , Rawlik Konrad , Xia Charley , Yao Yuelin , Zhao Qianyi , Yao Wenye , Yang Liu , Li Houcheng , Zhang Huicong , Liao Wang , Chen Tianshuo , Karlskov-Mortensen Peter , Fredholm Merete , Amills Marcel , Clop Alex , Giuffra Elisabetta , Wu Jun , Cai Xiaodian , Diao Shuqi , Pan Xiangchun , Wei Chen , Li Jinghui , Cheng Hao , Wang Sheng , Su Guosheng , Sahana Goutam , Lund Mogens Sandø , Dekkers Jack C. M. , Kramer Luke , Tuggle Christopher K. , Corbett Ryan , Groenen Martien A. M. , Madsen Ole , Gòdia Marta , Rocha Dominique , Charles Mathieu , Li Cong-jun , Pausch Hubert , Hu Xiaoxiang , Frantz Laurent , Luo Yonglun , Lin Lin , Zhou Zhongyin , Zhang Zhe , Chen Zitao , Cui Leilei , Xiang Ruidong , Shen Xia , Li Pinghua , Huang Ruihua , Tang Guoqing , Li Mingzhou , Zhao Yunxiang , Yi Guoqiang , Tang Zhonglin , Jiang Jicai , Zhao Fuping , Yuan Xiaolong , Liu Xiaohong , Chen Yaosheng , Xu Xuewen , Zhao Shuhong , Zhao Pengju , Haley Chris , Zhou Huaijun , Wang Qishan , Pan Yuchun , Ding Xiangdong , Ma Li , Li Jiaqi , Navarro Pau , Zhang Qin , Li Bingjie , Tenesa Albert , Li Kui , Liu George E. , Zhang Zhe , Fang Lingzhao
Published: January 2024

The Farm Animal Genotype-Tissue Expression (FarmGTEx) project has been established to develop a public resource of genetic regulatory variants in livestock, which is essential for linking genetic polymorphisms to variation in phenotypes, helping fundamental biological discovery and exploitation in animal breeding and human biomedicine. Here we show results from the pilot phase of PigGTEx by processing 5,457 RNA-sequencing and 1,602 whole-genome sequencing samples passing quality control from pigs. We build a pig genotype imputation panel and associate millions of genetic variants with five types of transcriptomic phenotypes in 34 tissues. We evaluate tissue specificity of regulatory effects and elucidate molecular mechanisms of their action using multi-omics data. Leveraging this resource, we decipher regulatory mechanisms underlying 207 pig complex phenotypes and demonstrate the similarity of pigs to humans in gene expression and the genetic regulation behind complex phenotypes, supporting the importance of pigs as a human biomedical model.
Structural insights into the activation and inhibition of CXC chemokine receptor 3
Authors: Jiao Haizhan , Pang Bin , Liu Aijun , Chen Qiang , Pan Qi , Wang Xiankun , Xu Yunong , Chiang Ying-Chih , Ren Ruobing , Hu Hongli
Published: January 2024

The chemotaxis of CD4+ type 1 helper cells and CD8+ cytotoxic lymphocytes, guided by interferon-inducible CXC chemokine 9–11 (CXCL9–11) and CXC chemokine receptor 3 (CXCR3), plays a critical role in type 1 immunity. Here we determined the structures of human CXCR3–DNGi complexes activated by chemokine CXCL11, peptidomimetic agonist PS372424 and biaryl-type agonist VUF11222, and the structure of inactive CXCR3 bound to noncompetitive antagonist SCH546738. Structural analysis revealed that PS372424 shares a similar orthosteric binding pocket to the N terminus of CXCL11, while VUF11222 buries deeper and activates the receptor in a distinct manner. We showed an allosteric binding site between TM5 and TM6, accommodating SCH546738 in the inactive CXCR3. SCH546738 may restrain the receptor at an inactive state by preventing the repacking of TM5 and TM6. By revealing the binding patterns and the pharmacological properties of the four modulators, we present the activation mechanisms of CXCR3 and provide insights for future drug development.
A biologging database of mobulid rays from the Gulf of California, Mexico
Authors: Zilliacus Kelly M. , O’Sullivan John , Galván-Magña Felipe , McKinzie Megan K. , Croll Donald A.
Published: January 2024

We initiated a tagging program in 2004 to determine the large-scale and long-term movement patterns of three species of Mobulid Ray (Mobula mobular, M. munkiana, M. thurstoni). Between 2004 and 2014 we deployed 48 pop-up archival (PAT) tags that recorded temperature, pressure, and light level. Pressure and light level records were then used to calculate animal depth and geolocation. Transmitted and when available recovered raw data files from successful deployments (n = 45) were auto-ingested from the manufacturer into the United States Animal Telemetry Network’s (ATN) Data Assembly Center (DAC). Through the ATN DAC, all necessary metadata were compiled, dataset was prepped for release, and derived geolocation trajectories (n = 43) were visualized within their public facing data portal. These data and the full metadata records are available for download from the ATN portal as well as permanently archived under the DataONE Research Workspace member node.
The 100-protein NMR spectra dataset: A resource for biomolecular NMR data analysis
Authors: Klukowski Piotr , Damberger Fred F. , Allain Frédéric H.-T. , Iwai Hideo , Kadavath Harindranath , Ramelot Theresa A. , Montelione Gaetano T. , Riek Roland , Güntert Peter
Published: January 2024

Multidimensional NMR spectra are the basis for studying proteins by NMR spectroscopy and crucial for the development and evaluation of methods for biomolecular NMR data analysis. Nevertheless, in contrast to derived data such as chemical shift assignments in the BMRB and protein structures in the PDB databases, this primary data is in general not publicly archived. To change this unsatisfactory situation, we present a standardized set of solution NMR data comprising 1329 2–4-dimensional NMR spectra and associated reference (chemical shift assignments, structures) and derived (peak lists, restraints for structure calculation, etc.) annotations. With the 100-protein NMR spectra dataset that was originally compiled for the development of the ARTINA deep learning-based spectra analysis method, 100 protein structures can be reproduced from their original experimental data. The 100-protein NMR spectra dataset is expected to help the development of computational methods for NMR spectroscopy, in particular machine learning approaches, and enable consistent and objective comparisons of these methods.
The impact of perceptual complexity on road crossing decisions in younger and older adults
Authors: Nicholls Victoria I. , Wiener Jan , Meso Andrew Isaac , Miellet Sebastien
Published: January 2024

Cognitive abilities decline with healthy ageing which can have a critical impact on day-to-day activities. One example is road crossing where older adults (OAs) disproportionally fall victim to pedestrian accidents. The current research examined two virtual reality experiments that investigated how the complexity of the road crossing situation impacts OAs (N = 19, ages 65–85) and younger adults (YAs, N = 34, ages 18–24) with a range of executive functioning abilities (EFs). Overall, we found that OAs were able to make safe crossing decisions, and were more cautious than YAs. This continued to be the case in high cognitive load situations. In these situations, safe decisions were associated with an increase in head movements for participants with poorer attention switching than participants with better attention switching suggesting these groups developed compensation strategies to continue to make safe decisions. In situations where participants had less time to make a crossing decision all participants had difficulties making safe crossing decisions which was amplified for OAs and participants with poorer EFs. Our findings suggest more effort should be taken to ensure that road crossing points are clear of visual obstructions and more speed limits should be placed around retirement or care homes, neither of which are legislated for in the UK and Australia.
The relationship between blood vitamin A levels and diabetic retinopathy: a population-based study
Authors: Choi Yu-Jin , Kwon Jin-Woo , Jee Donghyun
Published: January 2024

We assessed the relationship between blood vitamin A levels and the risk of diabetic retinopathy. The study was population-based epidemiological study for 11,727 participants aged 40 or older who participated in the Korean National Health and Nutrition Examination Survey. Vitamin A in the blood was classified into quartiles. Diabetic retinopathy was diagnosed by the Early Treatment for Diabetic Retinopathy Study. After adjusting confounding variables such as age, sex, smoking, cholesterol, diabetes prevalence period, glycated hemoglobin levels, and high blood pressure, the odd ratio (OR) of vitamin A at quartile level 4 for diabetic retinopathy was 0.32 (95% confidence interval [CI], 0.14–0.72, P for trend < 0.001). In male, the OR of quartile 3 level vitamin A for diabetic retinopathy was 0.11 (95% CI, 0.01–0.69, P for trend = 0.010). In adults under the age of 60, the OR of vitamin A at quartile level 3 for diabetic retinopathy was 0.10. (95% CI, 0.03–0.29, P for trend < 0.001). Serum vitamin A high levels are associated with low risk of diabetic retinopathy. Particularly, there is a more effective relationship in male and adults under the age of 60.
Longitudinal evaluation of advanced glaucoma: ten year follow-up cohort study
Authors: Shin Young In , Jeong Yoon , Huh Min Gu , Kim Young Kook , Park Ki Ho , Jeoung Jin Wook
Published: January 2024

This study focused on patients with advanced open-angle glaucoma (OAG) and aimed to identify key factors for monitoring them. We included 127 such patients who were followed for seven years or more, undergoing annual ophthalmic examinations. Glaucoma progression was defined as a deterioration in either structure or function. The progression rates and risk factors were evaluated. The patients were divided into upper- and lower-half subgroups based on the reduction in intraocular pressure (IOP) from the baseline. Over an 11-year period, glaucoma progression was detected in 59 eyes (46.5%). The rate of change in mean deviation (MD) was − 0.43 dB/year for the entire population; − 0.67 dB/year for progressors; and − 0.20 dB/year for non-progressors. Hypertension and disc hemorrhage (DH) were more common in progressors compared to non-progressors (45.8 vs. 23.5%, 11.9 vs. 1.5%; P = 0.008 and P = 0.016). Multivariate Cox’s proportional hazard model revealed that the presence of DH and a better baseline MD were associated with glaucoma progression. Additionally, patients with a higher percentage reduction in IOP (> 20.94%) had a lower risk of progression compared to those with less reduction. Inadequate IOP reduction, better baseline MD, presence of DH, and lower central corneal thickness were identified as risk factors for progression in advanced OAG patients.
Extrapolating tipping points and simulating non-stationary dynamics of complex systems using efficient machine learning
Authors: Köglmayr Daniel , Räth Christoph
Published: January 2024

Model-free and data-driven prediction of tipping point transitions in nonlinear dynamical systems is a challenging and outstanding task in complex systems science. We propose a novel, fully data-driven machine learning algorithm based on next-generation reservoir computing to extrapolate the bifurcation behavior of nonlinear dynamical systems using stationary training data samples. We show that this method can extrapolate tipping point transitions. Furthermore, it is demonstrated that the trained next-generation reservoir computing architecture can be used to predict non-stationary dynamics with time-varying bifurcation parameters. In doing so, post-tipping point dynamics of unseen parameter regions can be simulated.
The emerging role of ectodermal neural cortex 1 in cancer
Authors: He Lingling , Zhang Chiyu , He Wenjing , Xu Minjuan
Published: January 2024

Ectodermal neural cortex 1 (ENC1) is a protein that plays a crucial role in the regulation of various cellular processes such as cell proliferation, differentiation, and apoptosis. Numerous studies have shown that ENC1 is overexpressed in various types of cancers, including breast, lung, pancreatic, and colorectal cancer, and its upregulation is correlated with a poorer prognosis. In addition to its role in cancer growth and spreading, ENC1 has also been linked to neuronal process development and neural crest cell differentiation. In this review, we provide an overview of the current knowledge on the relationship between ENC1 and cancer. We discuss the molecular mechanisms by which ENC1 contributes to tumorigenesis, including its involvement in multiple oncogenic signaling pathways. We also summarize the potential of targeting ENC1 for cancer therapy, as its inhibition has been shown to significantly reduce cancer cell invasion, growth, and metastasis. Finally, we highlight the remaining gaps in our understanding of ENC1’s role in cancer and propose potential directions for future research.
A network analysis of early arthropod evolution and the potential of the primitive
Authors: Ostachuk Agustín
Published: January 2024

It is often thought that the primitive is simpler, and that the complex is generated from the simple by some process of self-assembly or self-organization, which ultimately consists of the spontaneous and fortuitous collision of elementary units. This idea is included in the Darwinian theory of evolution, to which is added the competitive mechanism of natural selection. To test this view, we studied the early evolution of arthropods. Twelve groups of arthropods belonging to the Burgess Shale, Orsten Lagerstätte, and extant primitive groups were selected, their external morphology abstracted and codified in the language of network theory. The analysis of these networks through different network measures (network parameters, topological descriptors, complexity measures) was used to carry out a Principal Component Analysis (PCA) and a Hierarchical Cluster Analysis (HCA), which allowed us to obtain an evolutionary tree with distinctive/novel features. The analysis of centrality measures revealed that these measures decreased throughout the evolutionary process, and led to the creation of the concept ofevolutionary developmental potential. This potential, which measures the capacity of a morphological unit to generate changes in its surroundings, is concomitantly reduced throughout the evolutionary process, and demonstrates that the primitive is not simple but has a potential that unfolds during this process. This means for us the first empirical evolutionary evidence of our theory of evolution as a process of unfolding.
Impacts of body weight change on treatment outcomes in patients with multidrug-resistant tuberculosis in Northwest Ethiopia
Authors: Wagnew Fasil , Alene Kefyalew Addis , Kelly Matthew , Gray Darren
Published: January 2024

Measuring body weight during therapy has received insufficient attention in poor resource settings like Ethiopia. We aimed to investigate the association between weight change during therapy and treatment outcomes among patients with multidrug-resistant tuberculosis (MDR-TB) in northwest Ethiopia. This retrospective cohort study analysed data from patients with MDR-TB admitted between May 2015 to February 2022 at four treatment facilities in Northwest Ethiopia. We used the joint model (JM) to determine the association between weight change during therapy and treatment outcomes for patients with MDR-TB. A total of 419 patients with MDR-TB were included in the analysis. Of these, 265 (63.3%) were male, and 255 (60.9%) were undernourished. Weight increase over time was associated with a decrease in unsuccessful treatment outcomes (adjusted hazard ratio (AHR): 0.96, 95% CI: 0.94 to 0.98). In addition, patients with undernutrition (AHR: 1.72, 95% CI: 1.10 to 2.97), HIV (AHR:1.79, 95% CI: 1.04 to 3.06), and clinical complications such as pneumothorax (AHR: 1.66, 95% CI: 1.03 to 2.67) were associated with unsuccessful treatment outcomes. The JM showed a significant inverse association between weight gain and unsuccessful MDR-TB treatment outcomes. Therefore, weight gain may be used as a surrogate marker for good TB treatment response in Ethiopia.
Performance evaluation of a firewall service based on virtualized IncludeOS unikernels
Authors: Kurek Tytus , Niemiec Marcin , Lason Artur
Published: January 2024

Network function virtualization technology has long moved beyond the experimental phase to become a standard in the implementation of modern telecommunications networks. It is anticipated that in the near future all network services will be implemented in software based on cloud-native architecture. As a result, telecommunications service providers have started exploring containers and unikernels as alternative technologies to traditional virtual machines. This paper presents performance evaluation of a firewall service based on IncludeOS unikernels. It shows that IncludeOS unikernels achieve promising performance results compared to Ubuntu-based virtual machines and containers. The presented evaluation is based on a number of experiments and benchmarks performed to investigate how different parameters of a firewall service change depending on the number of firewall rules.
Optimal design and experimental research on the spiral groove wheel fertilizer apparatus
Authors: Wen Fujun , Wang Honghai , Zhou Lai , Zhu Qingchuang
Published: January 2024

As the "core" of fertilizer machinery, the fertilizer apparatus has a significant impact on the effect of fertilization operation. At present, the straight-grooves type external groove wheel fertilizer apparatus is widely used, which has the problem that the fertilizer flow fluctuates periodically and is not conducive to precision fertilization. Therefore a kind of the spiral groove wheel fertilizer apparatus is proposed in the paper, and the designed fertilizer apparatus is experimented and optimized by using Design-Expert Software 10 and a self-made fertilizer experiment bench. Taking the fertilization amount and the variation coefficient of fertilization amount as the experiment index, the interaction effects of the groove radius, spiral rising angle, groove wheel rotation speed, and fertilizer tongue inclination of the spiral groove wheel type fertilizer wheel on the fertilization performance are analyzed. The quadratic regression models of multiple factors of the fertilization amount and the variation coefficient of fertilization amount are established. Through optimization and experiment validation, the optimal combination of parameters is determined as follows: the groove radius is 13.5 mm, the spiral rising angle is 62°, the groove wheel rotation speed is 29.4 r/min, the fertilizer tongue inclination is 5°, the fertilization amount is 17.810 g and the variation coefficient of fertilization amount is 5.60%.
Anticipating trade-offs and promoting synergies between small-scale fisheries and aquaculture to improve social, economic, and ecological outcomes
Authors: Mansfield Elizabeth J. , Micheli Fiorenza , Fujita Rod , Fulton Elizabeth A. , Gelcich Stefan , Battista Willow , Bustamante Rodrigo H. , Cao Ling , Daniels Benjamin N. , Finkbeiner Elena M. , Gaines Steven , Peckham Hoyt , Roche Kelly , Ruckelshaus Mary , Salomon Anne K. , Sumaila U. Rashid , White Crow , Naylor Rosamond
Published: January 2024

Blue food systems are crucial for meeting global social and environmental goals. Both small-scale marine fisheries (SSFs) and aquaculture contribute to these goals, with SSFs supporting hundreds of millions of people and aquaculture currently expanding in the marine environment. Here we examine the interactions between SSFs and aquaculture, and the possible combined benefits and trade-offs of these interactions, along three pathways: (1) resource access and rights allocation; (2) markets and supply chains; and (3) exposure to and management of risks. Analysis of 46 diverse case studies showcase positive and negative interaction outcomes, often through competition for space or in the marketplace, which are context-dependent and determined by multiple factors, as further corroborated by qualitative modeling. Results of our mixed methods approach underscore the need to anticipate and manage interactions between SSFs and aquaculture deliberately to avoid negative socio-economic and environmental outcomes, promote synergies to enhance food production and other benefits, and ensure equitable benefit distribution.
Single-nanometer CoFeB/MgO magnetic tunnel junctions with high-retention and high-speed capabilities
Authors: Igarashi Junta , Jinnai Butsurin , Watanabe Kyota , Shinoda Takanobu , Funatsu Takuya , Sato Hideo , Fukami Shunsuke , Ohno Hideo
Published: January 2024

Making magnetic tunnel junctions (MTJs) smaller while meeting performance requirements is critical for future electronics with spin-transfer torque magnetoresistive random access memory (STT-MRAM). However, it is challenging in the conventional MTJs using a thin CoFeB free layer capped with an MgO layer because of increasing difficulties in satisfying the required data retention and switching speed at smaller scales. Here we report single-nanometer MTJs using a free layer consisting of CoFeB/MgO multilayers, where the number of CoFeB/MgO interfaces and/or the CoFeB thicknesses are engineered to tailor device performance to applications requiring high-data retention or high-speed capability. We fabricate ultra-small MTJs down to 2.0 nm and show high data retention (over 10 years) and high-speed switching at 10 ns or below in sub-5-nm MTJs. The stack design proposed here proves that ultra-small CoFeB/MgO MTJs hold the potential for high-performance and high-density STT-MRAM.
Reaction Network Simulation and Model Reduction
Authors: Vega-Ramon Fernando , Wang Wei , Wu Wei , Zhang Dongda
Published: January 2024

Modelling and simulation of reaction networks is a challenging task that aims to decode the inherent kinetic characteristics of complex (bio)chemical reactions. In this chapter, a heterogeneous catalysis case study is adopted to elucidate the step-by-step derivation of a microkinetic model for a given reaction network. Subsequently, the use of physics- and mathematics-based network reduction strategies is exemplified to identify kinetically negligible elementary steps in the proposed mechanism. In the physics-based approach, the ratios of the fitted microkinetic rate constants are evaluated against a threshold to identify irreversible reactions, whereas in the mathematics-based approach an additional penalty term is introduced during microkinetic parameter estimation to penalise the number of active chemical pathways. Finally, the construction of traditional steady-state models for the reduced networks is also demonstrated through the application of the pseudo-steady-state hypothesis to the reaction intermediates. The underlying physical meaning of the proposed model structures and their parameters are discussed throughout to illustrate the role of kinetic model interpretability in the development of process mechanistic understanding.
A Data-efficient Transfer Learning Approach for New Reaction System Predictive Modelling
Authors: Kay Sam , Zhang Dongda
Published: January 2024

Transfer learning provides an effective and practical solution to modelling novel systems when a lack of theoretical understanding and data availability hinders progress. In this chapter, transfer learning aims to leverage previously discovered relations and prior understanding of complex biochemical systems to support the rapid construction of accurate predictive models for different but related biochemical systems. This chapter explores the application and advantages of transfer learning for a real experimental case study to demonstrate the potential of transfer learning within the biochemical industry. To maximise the use of available process knowledge, transfer learning and hybrid modelling are combined for the first time. Building on the hybrid modelling methodology introduced in Chapter 3, a step-by-step explanation is provided for transfer-hybrid model construction, focusing on the selection and implementation of the chosen transfer learning approach and the decision about which aspects of the model to transfer or update for the new system to avoid inheriting domain-specific biases. The study concludes by comparing the accuracy and uncertainty of the transfer-hybrid model with a traditional-hybrid model. Although the results are case-specific, they provide valuable evidence that transfer learning can accelerate biochemical process model construction and help bolster innovation when correctly employed.
Statistical Design of Experiments for Reaction Modelling and Optimisation
Authors: Kay Phil , Ingham Benjamin , Winterburn James
Published: January 2024

Statistical design of experiments, often known as DOE, is a powerful method for understanding how to control industrial processes to ensure consistent quality. In this chapter, we will see how DOE enables efficient experimentation to maximise our learning on multi-factor systems. An example case study is used in which sequential DOE yielded a comprehensive model of a yeast fermentation process for the production of a biosurfactant. The DOE approach will be compared with the limited understanding that could be gained from traditional trial-and-error and one-factor-at-a-time approaches. This is not intended as a guide on how to design experiments for other multifactor processes or systems. Rather, the aim is to provide an introduction to what is possible with DOE and to illustrate the value of carefully designing experiments with the intention of building useful multifactor empirical models. The objectives of the case study are introduced before a brief discussion of the broader reasons for experimenting on industrial processes. The value of the final model is then presented, followed by an explanation of how this model was incrementally built and the additional information that each step in the sequence of experiments contributed to the overall solution.
Autonomous Synthesis and Self-optimizing Reactors
Authors: Nieves-Remacha M. J.
Published: January 2024

The development of automated and self-driven systems is gaining increasing attention among institutions, companies, and universities around the world in different disciplines and fields. Industry 4.0 is transforming the chemical and pharmaceutical industries with an increasing level of digitalization and automation, bringing new opportunities in the field: from molecule design guided by artificial intelligence to process development and optimization through autonomous chemical synthesis. This chapter is focused on the development of self-optimization reaction platforms in flow, including challenges, opportunities, and algorithms used, illustrated with relevant applications in the field.
Fluorophosphoniums as Lewis acids in organometallic catalysis: application to the carbonylation of β-lactones
Authors: Pietraru Marie-Hélène , Ponsard Louise , Lentz Nicolas , Thuéry Pierre , Nicolas Emmanuel , Cantat Thibault
Published: January 2024

We describe the synthesis, characterisation, and use as carbonylation catalysts of four organic Lewis acids based on fluorophosphoniums, with tetracarbonyl cobaltate as the counter-anion: [R3PF]+[Co(CO)4]− (with R = o-Tol, Cy, iPr, and tBu).
Electric field-assisted NSR process for lean NOx reduction at low temperatures
Authors: Shigemoto Ayaka , Inoda Yuki , Ukai Chihiro , Higo Takuma , Oka Kohei , Sekine Yasushi
Published: January 2024

A novel NOx-storage-reduction process is proposed in an electric field which works even in lean-burn conditions (8% O2) at 423 K. 3 wt% Pt–16 wt% BaO/CeO2 catalyst shows markedly higher NOx conversion to N2 (13.1% vs. 2.9% without an electric field) even in lean-burn conditions with 8% O2.
Discovery and exploration of new solid forms of dipeptide: l-alanyl-l-glutamine
Authors: Fu Jinqiu , Cai Mengyang , Shi Yuzhong , Hou Yihang , Guo Rongxi , Wang Chiyi , Zhao Jingjing , Zhuang Wei , Ying Hanjie , Yang Pengpeng , Zhang Keke
Published: January 2024

Four kinds of molecular arrangement frameworks were found in six solid forms of Ala–Gln, which were mainly cultivated by the diffusion method.
Multiscale organisation of lead carboxylates in artistic oil binders
Authors: Laporte Lucie , Gobeaux Frédéric , Pouget Thierry , Benoot Nicolas , Foisnon Julien , Touboul David , Ducouret Guylaine , de Viguerie Laurence
Published: January 2024

The supramolecular and mesoscopic architectures of lead-saponified linseed oil, used by painters since the Renaissance, have been characterised and linked to their rheological properties.
Chemical bonding effects in Sc compounds studied using X-ray absorption and X-ray photoelectron spectroscopies
Authors: Zimina Anna , Léon Aline , Steininger Ralph
Published: January 2024

To understand the nature of the chemical bonding and electron correlation effects eight Sc compounds are systematically studied using the X-ray absorption spectroscopy at K and L2,3 absorption edges and X-ray photoelectron spectroscopy.
A first-principles study of electro-catalytic reduction of CO2 on transition metal-doped stanene
Authors: Giri Sudatta , Yadav Satyesh K. , Misra Debolina
Published: January 2024

Only Ti- and Fe-doped stanene are capable of activating CO2 both in the dry phase and in the presence of water. OCHO is the energetically preferred intermediate in the 1st hydrogenation step promoting the formate pathway of the CO2 reduction reaction.
Synergistic effect of a bamboo-like Bi2S3 covered Sm2O3 nanocomposite (Bi2S3–Sm2O3) for enhanced alkaline OER
Authors: Munawar Tauseef , Fatima Saman , Batoo Khalid Mujasam , Bashir Ambreen , Mukhtar Faisal , Hussain Sajjad , Manzoor Sumaira , Ashiq Muhammad Naeem , Khan Shoukat Alim , Koc Muammer , Iqbal Faisal
Published: January 2024

Efficient and durable electrocatalyst for OER.
Mechanism of ionic dissociation of HCl in the smallest water clusters
Authors: Tachikawa Hiroto
Published: January 2024

Mechanism of ionic dissociation of HCl in the smallest water clusters was proposed on the basis of direct ab initio MD calculations.
Te-doped-WSe2/W as a stable monolith catalyst for ampere-level current density hydrogen evolution reaction
Authors: Zhang Xingchen , Zhang Dongfang , Chen Xinya , Zhou Dingyi , Zhang Jinying , Wang Zhiyong
Published: January 2024

Te-doped WSe2 grown on a W mesh, as a monolithic electrocatalyst for hydrogen evolution reaction, exhibits a catalytic performance that surpasses that of commercial platinum catalysts at high current densities.
Exploitation of a 1D coordination polymer as a portable kit for an eye-catching fluorometric response towards sensing of trivalent cations
Authors: Datta Sourav , Dey Sunanda , Sinha Chittaranjan , Dutta Basudeb , Banerjee Priyabrata , Mir Mohammad Hedayetullah
Published: January 2024

This study highlights the uncomplicated synthesis of a coordination polymer that exhibited an eye-catching fluorometric response and sensing activity towards trivalent cations.
Synthesis of N-heterocyclic carbene gold(i) complexes from the marine betaine 1,3-dimethylimidazolium-4-carboxylate
Authors: Mahdavi Seyedeh Mahbobeh , Bockfeld Dirk , Büssing Rolf , Karge Bianka , Bannenberg Thomas , Frank René , Brönstrup Mark , Ott Ingo , Tamm Matthias
Published: January 2024

The marine natural product norzooanemonin has been used to prepare a series of carboxyl-functionalized N-heterocyclic carbene (NHC) gold(i) complexes with cytotoxic and antibacterial activity.
Enhanced surface Lewis acidity of ZrO2 by –HSO4 for efficient CF4 decomposition
Authors: Chen Yingkang , Kao Cheng-Wei , Luo Tao , Zhang Hang , Long Yan , Fu Junwei , Lin Zhang , Chai Liyuan , Chan Ting-Shan , Liu Min
Published: January 2024

Introducing –HSO4 to enhance the surface Lewis acidity can significantly improve the CF4 decomposition activity of ZrO2.
Quantifying neutrophil extracellular trap release in a combined infection–inflammation NET-array device
Authors: Datla Udaya Sree , Vundurthy Bhaskar , Hook Jessica S. , Menon Nidhi , Razmi Bagtash Hossein , Shihabeddin Tarik , Schmidtke David W. , Moreland Jessica G. , Radic Marko Z. , Jones Caroline N.
Published: January 2024

We present a neutrophil extracellular trap (NET)-array device, engineered to quantify the spatiotemporal dynamics of NET release with single-cell resolution in varied microenvironments simulating infection and inflammation.
Titanium nitride (TiN) as a promising alternative to plasmonic metals: a comprehensive review of synthesis and applications
Authors: Mahajan Ujjwal , Dhonde Mahesh , Sahu Kirti , Ghosh Pintu , Shirage Parasharam M.
Published: January 2024

Titanium nitride (TiN), a key transition metal nitride (TMN), stands out for its remarkable features, finding diverse applications in modern technologies.
Organic fluorophore-substituted polyaza-[7]helicenes derived from 1,10-phenanthroline: Studying the chromophoric effect on fluorescence efficiency
Authors: Yadagiri B. , Kumar Vinay , Singh Surya Prakash
Published: January 2024

We report a series of fluorescent “push–pull” helicenes based on aza-[7]helicenes denoted as AZA-FLU, AZA-NPC, AZA-TPA, and AZA-2OMe for the control of the excited-state dynamics and circular dichroism properties of parent aza-[7]helicene.
The effect of rigidity on the emission of quadrupolar strongly polarized dyes
Authors: Szymański Bartosz , Sahoo Smruti Ranjan , Valiev Rashid , Vakuliuk Olena , Łaski Piotr , Jarzembska Katarzyna N. , Kamiński Radosław , Baryshnikov Glib , Teimouri Mohammad B. , Gryko Daniel T.
Published: January 2024

Planarization of the pyrrolopyrrole chromophore switches the mechanism of non-radiative deactivation from intersystem crossing to internal conversion.
Atomic surface achieved through a novel cross-scale model from macroscale to nanoscale
Authors: Zhao Feng , Zhang Zhenyu , Deng Xingqiao , Feng Junyuan , Zhou Hongxiu , Liu Zhensong , Meng Fanning , Shi Chunjing
Published: January 2024

Chemical mechanical polishing (CMP) is widely used to achieve an atomic surface globally, yet its cross-scale polishing mechanisms are elusive.
Synthesis of unsymmetrical 2,3,7,8-tetrabromo meso-5,10,11,16-tetraaryl- triphyrin(2.1.1) and its use in the synthesis of sterically crowded 2,3,5,7,8,10,11,16-octaarylated triphyrin(2.1.1)s
Authors: Sharma Akrti , Kaur Gurpreet , Ravikanth Mangalampalli
Published: January 2024

An unsymmetrical 2,3,7,8-tetrabromo meso-tetraaryl triphyrin(2.1.1) was used for the synthesis of sterically crowded 2,3,5,7,8,10,11,16-octaaryl triphyrin(2.1.1)s, which showed significantly altered electronic properties compared to triphyrin(2.1.1).
Visible-light-induced decarboxylative cascade cyclization of acryloylbenzamides with N-hydroxyphthalimide esters via EDA complexes
Authors: Li Qing , Zhu Zhi-Qiang , Zhang Wen-Yi , Le Zhang-Gao , Xie Zong-Bo
Published: January 2024

A visible-light-induced, electron donor–acceptor (EDA) complex-enabled decarboxylative cascade reaction of acryloylbenzamides with alkyl N-hydroxyphthalimide esters by NaI/PPh3 catalysis was developed.
The electrochemical oxidation of a thioether to form an API intermediate and the effects of substrate electronics on impurity formation
Authors: Stephen Hamish R. , Longhurst Holly , Nunn Michael , Parsons Christopher D. , Burns Matthew
Published: January 2024

Electrochemistry was explored as a means of oxidising a thioether to form a sulfone API intermediate.
Ligand-controlled regiodivergent Ni-catalyzed trans-hydroboration/carboboration of internal alkynes with B2pin2
Authors: Chen Zunsheng , Nie Biao , Li Xiaoning , Liu Teng , Li Chunsheng , Huang Jiuzhong
Published: January 2024

With the aid of the directing group strategy, an approach for the synthesis of alkenyl and 1-naphthyl boronates with stereo- and regioselectivity via ligand-controlled Ni-catalyzed trans-hydroboration/carboboration of internal alkynes was developed.