bluuebunny/crossref_metadata_2025 huggingface dataset:
Flexible switch matrix addressable electrode arrays with organic electrochemical transistor and pn diode technology
Authors: Uguz Ilke , Ohayon David , Arslan Volkan , Sheelamanthula Rajendar , Griggs Sophie , Hama Adel , Stanton John William , McCulloch Iain , Inal Sahika , Shepard Kenneth L.
Published: January 2024

Due to their effective ionic-to-electronic signal conversion and mechanical flexibility, organic neural implants hold considerable promise for biocompatible neural interfaces. Current approaches are, however, primarily limited to passive electrodes due to a lack of circuit components to realize complex active circuits at the front-end. Here, we introduce a p-n organic electrochemical diode using complementary p- and n-type conducting polymer films embedded in a 15-μm -diameter vertical stack. Leveraging the efficient motion of encapsulated cations inside this polymer stack and the opposite doping mechanisms of the constituent polymers, we demonstrate high current rectification ratios ($${10}^{5}$$

10

5

) and fast switching speeds (230 μs). We integrate p-n organic electrochemical diodes with organic electrochemical transistors in the front-end pixel of a recording array. This configuration facilitates the access of organic electrochemical transistor output currents within a large network operating in the same electrolyte, while minimizing crosstalk from neighboring elements due to minimized reverse-biased leakage. Furthermore, we use these devices to fabricate time-division-multiplexed amplifier arrays. Lastly, we show that, when fabricated in a shank format, this technology enables the multiplexing of amplified local field potentials directly in the active recording pixel (26-μm diameter) in a minimally invasive form factor with shank cross-sectional dimensions of only 50×8 $${\mu m}^{2}$$

μ
m

2

.
Homolytic H2 dissociation for enhanced hydrogenation catalysis on oxides
Authors: Yang Chengsheng , Ma Sicong , Liu Yongmei , Wang Lihua , Yuan Desheng , Shao Wei-Peng , Zhang Lunjia , Yang Fan , Lin Tiejun , Ding Hongxin , He Heyong , Liu Zhi-Pan , Cao Yong , Zhu Yifeng , Bao Xinhe
Published: January 2024

The limited surface coverage and activity of active hydrides on oxide surfaces pose challenges for efficient hydrogenation reactions. Herein, we quantitatively distinguish the long-puzzling homolytic dissociation of hydrogen from the heterolytic pathway on Ga2O3, that is useful for enhancing hydrogenation ability of oxides. By combining transient kinetic analysis with infrared and mass spectroscopies, we identify the catalytic role of coordinatively unsaturated Ga3+ in homolytic H2 dissociation, which is formed in-situ during the initial heterolytic dissociation. This site facilitates easy hydrogen dissociation at low temperatures, resulting in a high hydride coverage on Ga2O3 (H/surface Ga3+ ratio of 1.6 and H/OH ratio of 5.6). The effectiveness of homolytic dissociation is governed by the Ga-Ga distance, which is strongly influenced by the initial coordination of Ga3+. Consequently, by tuning the coordination of active Ga3+ species as well as the coverage and activity of hydrides, we achieve enhanced hydrogenation of CO2 to CO, methanol or light olefins by 4-6 times.
Increased iron uptake by splenic hematopoietic stem cells promotes TET2-dependent erythroid regeneration
Authors: Tseng Yu-Jung , Kageyama Yuki , Murdaugh Rebecca L. , Kitano Ayumi , Kim Jong Hwan , Hoegenauer Kevin A. , Tiessen Jonathan , Smith Mackenzie H. , Uryu Hidetaka , Takahashi Koichi , Martin James F. , Samee Md Abul Hassan , Nakada Daisuke
Published: January 2024

Hematopoietic stem cells (HSCs) are capable of regenerating the blood system, but the instructive cues that direct HSCs to regenerate particular lineages lost to the injury remain elusive. Here, we show that iron is increasingly taken up by HSCs during anemia and induces erythroid gene expression and regeneration in a Tet2-dependent manner. Lineage tracing of HSCs reveals that HSCs respond to hemolytic anemia by increasing erythroid output. The number of HSCs in the spleen, but not bone marrow, increases upon anemia and these HSCs exhibit enhanced proliferation, erythroid differentiation, iron uptake, and TET2 protein expression. Increased iron in HSCs promotes DNA demethylation and expression of erythroid genes. Suppressing iron uptake or TET2 expression impairs erythroid genes expression and erythroid differentiation of HSCs; iron supplementation, however, augments these processes. These results establish that the physiological level of iron taken up by HSCs has an instructive role in promoting erythroid-biased differentiation of HSCs.
Organocatalytic diastereo- and atroposelective construction of N–N axially chiral pyrroles and indoles
Authors: Wang Shao-Jie , Wang Xia , Xin Xiaolan , Zhang Shulei , Yang Hui , Wong Ming Wah , Lu Shenci
Published: January 2024

The construction of N–N axially chiral motifs is an important research topic, owing to their wide occurrence in natural products, pharmaceuticals and chiral ligands. One efficient method is the atroposelective dihydropyrimidin-4-one formation. We present herein a direct catalytic synthesis of N–N atropisomers with simultaneous creation of contiguous axial and central chirality by oxidative NHC (N-heterocyclic carbenes) catalyzed (3 + 3) cycloaddition. Using our method, we are able to synthesize structurally diverse N–N axially chiral pyrroles and indoles with vicinal central chirality or bearing a 2,3-dihydropyrimidin-4-one moiety in moderate to good yields and excellent enantioselectivities. Further synthetic transformations of the obtained axially chiral pyrroles and indoles derivative products are demonstrated. The reaction mechanism and the origin of enantioselectivity are understood through DFT calculations.
The neural origin for asymmetric coding of surface color in the primate visual cortex
Authors: Wu Yujie , Zhao Minghui , Deng Haoyun , Wang Tian , Xin Yumeng , Dai Weifeng , Huang Jiancao , Zhou Tingting , Sun Xiaowen , Liu Ning , Xing Dajun
Published: January 2024

The coding privilege of end-spectral hues (red and blue) in the early visual cortex has been reported in primates. However, the origin of such bias remains unclear. Here, we provide a complete picture of the end-spectral bias in visual system by measuring fMRI signals and spiking activities in macaques. The correlated end-spectral biases between the LGN and V1 suggest a subcortical source for asymmetric coding. Along the ventral pathway from V1 to V4, red bias against green peaked in V1 and then declined, whereas blue bias against yellow showed an increasing trend. The feedforward and recurrent modifications of end-spectral bias were further revealed by dynamic causal modeling analysis. Moreover, we found that the strongest end-spectral bias in V1 was in layer 4C$$\beta$$β. Our results suggest that end-spectral bias already exists in the LGN and is transmitted to V1 mainly through the parvocellular pathway, then embellished by cortical processing.
Photocatalytic aerobic oxidation of C(sp3)-H bonds
Authors: Zhang Lei , Li Run-Han , Li Xiao-Xin , Wang Shengyao , Liu Jiang , Hong Xiao-Xuan , Dong Long-Zhang , Li Shun-Li , Lan Ya-Qian
Published: January 2024

In modern industries, the aerobic oxidation of C(sp3)-H bonds to achieve the value-added conversion of hydrocarbons requires high temperatures and pressures, which significantly increases energy consumption and capital investment. The development of a light-driven strategy, even under natural sunlight and ambient air, is therefore of great significance. Here we develop a series of hetero-motif molecular junction photocatalysts containing two bifunctional motifs. With these materials, the reduction of O2 and oxidation of C(sp3)-H bonds can be effectively accomplished, thus realizing efficient aerobic oxidation of C(sp3)-H bonds in e.g., toluene and ethylbenzene. Especially for ethylbenzene oxidation reactions, excellent catalytic capacity (861 mmol g cat−1) is observed. In addition to the direct oxidation of C(sp3)-H bonds, CeBTTD-A can also be applied to other types of aerobic oxidation reactions highlighting their potential for industrial applications.
Morphologic and genomic changes of thyroid cancer cell lines exposed to conditions of simulated microgravity
Authors: Ahn Jong-hyuk , Park Sungyeon , Hwang Young Mi , Choi Yun Suk , Yi Jin Wook
Published: January 2024

Microgravity in space impacts human health. In particular, thyroid cancer, which has a high incidence rate, has been the subject of numerous studies with respect to microgravity. However, most studies have focused on Western follicular thyroid cancer cell lines, while data regarding the effects of microgravity on Asian cell lines are lacking. Therefore, we aimed to investigate the effect of simulated ground-based microgravity on two Korean thyroid cancer cell lines, namely SNU-790 and SNU-80. We found that both cell lines formed multicellular spheroids under simulated microgravity. Gene expression analysis revealed that in SNU-790 cells, histone-related genes were upregulated and microRNA-related genes were downregulated. Meanwhile, in SNU-80 cells, genes related to the cellular response to hypoxia were downregulated. These findings contribute to a better understanding of the effects of microgravity on thyroid cancer cells. Further validation studies and clinical significance analyses are needed to fully understand the implications of these findings.
Ecological disruptive selection acting on quantitative loci can drive sympatric speciation
Authors: Venkataraman Pavithra , Saini Supreet
Published: January 2024

The process of speciation generates biodiversity. According to the null model of speciation, barriers between populations arise in allopatry, where, prior to biology, geography imposes barriers to gene flow. On the other hand, sympatric speciation requires that the process of speciation happen in the absence of a geographical barrier, where the members of the population have no spatial, temporal barriers. Several attempts have been made to theoretically identify the conditions in which speciation can occur in sympatry. However, these efforts suffer from several limitations. We propose a model for sympatric speciation based on adaptation for resource utilization. We use a genetics-based model to investigate the relative roles of prezygotic and postzygotic barriers, from the context of ecological disruptive selection, sexual selection, and genetic architecture, in causing and maintaining sympatric speciation. Our results show that sexual selection that acts on secondary sexual traits does not play any role in the process of speciation in sympatry and that assortative mating based on an ecologically relevant trait forces the population to show an adaptive response. We also demonstrate that understanding the genetic architecture of the trait under ecological selection is very important and that it is not required for the strength of ecological disruptive selection to be very high in order for speciation to occur in sympatry. Our results provide an insight into the kind of scenarios in which sympatric speciation can be demonstrated in the lab.
Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography
Authors: Cellini Andrea , Shankar Madan Kumar , Nimmrich Amke , Hunt Leigh Anna , Monrroy Leonardo , Mutisya Jennifer , Furrer Antonia , Beale Emma V. , Carrillo Melissa , Malla Tek Narsingh , Maj Piotr , Vrhovac Lidija , Dworkowski Florian , Cirelli Claudio , Johnson Philip J. M. , Ozerov Dmitry , Stojković Emina A. , Hammarström Leif , Bacellar Camila , Standfuss Jörg , Maj Michał , Schmidt Marius , Weinert Tobias , Ihalainen Janne A. , Wahlgren Weixiao Yuan , Westenhoff Sebastian
Published: January 2024

Charge-transfer reactions in proteins are important for life, such as in photolyases which repair DNA, but the role of structural dynamics remains unclear. Here, using femtosecond X-ray crystallography, we report the structural changes that take place while electrons transfer along a chain of four conserved tryptophans in the Drosophila melanogaster (6-4) photolyase. At femto- and picosecond delays, photoreduction of the flavin by the first tryptophan causes directed structural responses at a key asparagine, at a conserved salt bridge, and by rearrangements of nearby water molecules. We detect charge-induced structural changes close to the second tryptophan from 1 ps to 20 ps, identifying a nearby methionine as an active participant in the redox chain, and from 20 ps around the fourth tryptophan. The photolyase undergoes highly directed and carefully timed adaptations of its structure. This questions the validity of the linear solvent response approximation in Marcus theory and indicates that evolution has optimized fast protein fluctuations for optimal charge transfer.
Monitoring of species’ genetic diversity in Europe varies greatly and overlooks potential climate change impacts
Authors: Pearman Peter B. , Broennimann Olivier , Aavik Tsipe , Albayrak Tamer , Alves Paulo C. , Aravanopoulos F. A. , Bertola Laura D. , Biedrzycka Aleksandra , Buzan Elena , Cubric-Curik Vlatka , Djan Mihajla , Fedorca Ancuta , Fuentes-Pardo Angela P. , Fussi Barbara , Godoy José A. , Gugerli Felix , Hoban Sean , Holderegger Rolf , Hvilsom Christina , Iacolina Laura , Kalamujic Stroil Belma , Klinga Peter , Konopiński Maciej K. , Kopatz Alexander , Laikre Linda , Lopes-Fernandes Margarida , McMahon Barry John , Mergeay Joachim , Neophytou Charalambos , Pálsson Snæbjörn , Paz-Vinas Ivan , Posledovich Diana , Primmer Craig R. , Raeymaekers Joost A. M. , Rinkevich Baruch , Rolečková Barbora , Ruņģis Dainis , Schuerz Laura , Segelbacher Gernot , Kavčič Sonnenschein Katja , Stefanovic Milomir , Thurfjell Henrik , Träger Sabrina , Tsvetkov Ivaylo N. , Velickovic Nevena , Vergeer Philippine , Vernesi Cristiano , Vilà Carles , Westergren Marjana , Zachos Frank E. , Guisan Antoine , Bruford Michael
Published: January 2024

Genetic monitoring of populations currently attracts interest in the context of the Convention on Biological Diversity but needs long-term planning and investments. However, genetic diversity has been largely neglected in biodiversity monitoring, and when addressed, it is treated separately, detached from other conservation issues, such as habitat alteration due to climate change. We report an accounting of efforts to monitor population genetic diversity in Europe (genetic monitoring effort, GME), the evaluation of which can help guide future capacity building and collaboration towards areas most in need of expanded monitoring. Overlaying GME with areas where the ranges of selected species of conservation interest approach current and future climate niche limits helps identify whether GME coincides with anticipated climate change effects on biodiversity. Our analysis suggests that country area, financial resources and conservation policy influence GME, high values of which only partially match species’ joint patterns of limits to suitable climatic conditions. Populations at trailing climatic niche margins probably hold genetic diversity that is important for adaptation to changing climate. Our results illuminate the need in Europe for expanded investment in genetic monitoring across climate gradients occupied by focal species, a need arguably greatest in southeastern European countries. This need could be met in part by expanding the European Union’s Birds and Habitats Directives to fully address the conservation and monitoring of genetic diversity.
Floristic homogenization of South Pacific islands commenced with human arrival
Authors: Strandberg Nichola A. , Steinbauer Manuel J. , Walentowitz Anna , Gosling William D. , Fall Patricia L. , Prebble Matiu , Stevenson Janelle , Wilmshurst Janet M. , Sear David A. , Langdon Peter G. , Edwards Mary E. , Nogué Sandra
Published: January 2024

The increasing similarity of plant species composition among distinct areas is leading to the homogenization of ecosystems globally. Human actions such as ecosystem modification, the introduction of non-native plant species and the extinction or extirpation of endemic and native plant species are considered the main drivers of this trend. However, little is known about when floristic homogenization began or about pre-human patterns of floristic similarity. Here we investigate vegetation trends during the past 5,000 years across the tropical, sub-tropical and warm temperate South Pacific using fossil pollen records from 15 sites on 13 islands within the biogeographical realm of Oceania. The site comparisons show that floristic homogenization has increased over the past 5,000 years. Pairwise Bray–Curtis similarity results also show that when two islands were settled by people in a given time interval, their floristic similarity is greater than when one or neither of the islands were settled. Importantly, higher elevation sites, which are less likely to have experienced human impacts, tended to show less floristic homogenization. While biotic homogenization is often referred to as a contemporary issue, we have identified a much earlier trend, likely driven by human colonization of the islands and subsequent impacts.
Synthetic reflection self-injection-locked microcombs
Authors: Ulanov Alexander E. , Wildi Thibault , Pavlov Nikolay G. , Jost John D. , Karpov Maxim , Herr Tobias
Published: January 2024

Laser-driven microresonators have enabled chip-integrated light sources with unique properties, including the self-organized formation of ultrashort soliton pulses and frequency combs (microcombs). While poised to impact major photonic applications such as spectroscopy, sensing and optical data processing, microcombs still necessitate complex scientific equipment to achieve and maintain suitable single-pulse operation. Here to address this challenge, we demonstrate microresonators with programmable synthetic reflection providing tailored injection feedback to the driving laser. Synthetic reflection achieves independence from random sample scattering properties and, when designed appropriately, enables deterministic access to self-injection-locked microcombs operating exclusively in the single-soliton regime. These results provide a route to easily operable microcombs at scale for portable sensors, autonomous navigation or extreme-bandwidth data processing. The novel concept of synthetic reflection may also be generalized to other integrated photonic systems.
Disentanglement of single-cell data with biolord
Authors: Piran Zoe , Cohen Niv , Hoshen Yedid , Nitzan Mor
Published: January 2024

Biolord is a deep generative method for disentangling single-cell multi-omic data to known and unknown attributes, including spatial, temporal and disease states, used to reveal the decoupled biological signatures over diverse single-cell modalities and biological systems. By virtually shifting cells across states, biolord generates experimentally inaccessible samples, outperforming state-of-the-art methods in predictions of cellular response to unseen drugs and genetic perturbations. Biolord is available at https://github.com/nitzanlab/biolord.
Vaccine design via antigen reorientation
Authors: Xu Duo , Carter Joshua J. , Li Chunfeng , Utz Ashley , Weidenbacher Payton A. B. , Tang Shaogeng , Sanyal Mrinmoy , Pulendran Bali , Barnes Christopher O. , Kim Peter S.
Published: January 2024

A major challenge in creating universal influenza vaccines is to focus immune responses away from the immunodominant, variable head region of hemagglutinin (HA-head) and toward the evolutionarily conserved stem region (HA-stem). Here we introduce an approach to control antigen orientation via site-specific insertion of aspartate residues that facilitates antigen binding to alum. We demonstrate the generalizability of this approach with antigens from Ebola, severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) and influenza viruses and observe enhanced neutralizing antibody responses in all cases. We then reorient an H2 HA in an ‘upside-down’ configuration to increase the exposure and immunogenicity of HA-stem. The reoriented H2 HA (reoH2HA) on alum induced stem-directed antibodies that cross-react with both group 1 and group 2 influenza A subtypes. Electron microscopy polyclonal epitope mapping (EMPEM) revealed that reoH2HA (group 1) elicits cross-reactive antibodies targeting group 2 HA-stems. Our results highlight antigen reorientation as a generalizable approach for designing epitope-focused vaccines.
A ResNet-LSTM hybrid model for predicting epileptic seizures using a pretrained model with supervised contrastive learning
Authors: Lee Dohyun , Kim Byunghyun , Kim Taejoon , Joe Inwhee , Chong Jongwha , Min Kyeongyuk , Jung Kiyoung
Published: January 2024

In this paper, we propose a method for predicting epileptic seizures using a pre-trained model utilizing supervised contrastive learning and a hybrid model combining residual networks (ResNet) and long short-term memory (LSTM). The proposed training approach encompasses three key phases: pre-processing, pre-training as a pretext task, and training as a downstream task. In the pre-processing phase, the data is transformed into a spectrogram image using short time Fourier transform (STFT), which extracts both time and frequency information. This step compensates for the inherent complexity and irregularity of electroencephalography (EEG) data, which often hampers effective data analysis. During the pre-training phase, augmented data is generated from the original dataset using techniques such as band-stop filtering and temporal cutout. Subsequently, a ResNet model is pre-trained alongside a supervised contrastive loss model, learning the representation of the spectrogram image. In the training phase, a hybrid model is constructed by combining ResNet, initialized with weight values from the pre-trained model, and LSTM. This hybrid model extracts image features and time information to enhance prediction accuracy. The proposed method’s effectiveness is validated using datasets from CHB-MIT and Seoul National University Hospital (SNUH). The method’s generalization ability is confirmed through Leave-one-out cross-validation. From the experimental results measuring accuracy, sensitivity, and false positive rate (FPR), CHB-MIT was 91.90%, 89.64%, 0.058 and SNUH was 83.37%, 79.89%, and 0.131. The experimental results demonstrate that the proposed method outperforms the conventional methods.
Study on the influence law of cavities behind the shotcrete lining on the lattice girders
Authors: Qi Chuande , Liu Junfeng , Zong Chao , Jiang Weiliang , Li Weiteng , Li Yang , Yan Jianquan
Published: January 2024

The field monitoring data showed that a small amount of main reinforcement bars of lattice girder at the arch of a tunnel were pulled, and the calculation showed that the initial support structure should be compressed. To find out the reason for the tension of the main reinforcement, the geological radar was used to detect the cavity in the sprayed concrete layer at the tension position. In order to clarify the tension mechanism of the main reinforcement and the influence of factors such as the position and size of the cavity on the main reinforcement, numerical simulations were carried out. The results show that the cavity causes the eccentric compression of the shotcrete layer, resulting in moment of the lattice girder and the change of the stress distribution of the main reinforcement. The main reinforcement experiences tensile stress when the cavity size surpasses 3 m × 0.2 m, reaching a tensile stress of 81 MPa at a cavity size of 6 m × 0.2 m. Notably, the cavity located at the foot of the arch is more likely to produce substantial tensile stress on the primary reinforcement compared to those at the arch crown and waist. The research results provide a theoretical basis for the interpretation and analysis of tunnel lattice girder monitoring data.
Effect of atherosclerosis on the relationship between atrial fibrillation and ischemic stroke incidence among patients on hemodialysis
Authors: Joki Nobuhiko , Toida Tatsunori , Nakata Kenji , Abe Masanori , Hanafusa Norio , Kurita Noriaki
Published: January 2024

In patients undergoing hemodialysis, the impact of atrial fibrillation (AF) through cardiac thromboembolism on the development of ischemic stroke may be influenced by the severity of atherosclerosis present. However, there are no large-scale reports confirming whether the severity of atherosclerosis influences the relationship between AF and stroke development in patients requiring hemodialysis. We aimed to investigate the effects of atherosclerotic disease on the relationship between AF and new-onset ischemic stroke. This nationwide longitudinal study based on dialysis facilities across Japan used data collected from the Japanese Renal Data Registry at the end of 2019 and 2020. The exposure was AF at the end of 2019, identified using a resting 12-lead electrocardiography. The primary outcome was the incidence of cerebral infarction (CI) after 1 year. To examine whether the number of atherosclerotic diseases modified the association between AF and the outcome, we estimated the odds ratios (ORs) using a logistic regression model and then assessed the presence of global interaction using Wald test. Following the study criteria, data from 151,350 patients (mean age, 69 years; men, 65.2%; diabetic patients, 48.7%) were included in the final analysis. A total of 9841 patients had AF (prevalence, 6.5%). Between 2019 and 2020, 4967 patients (3.2%) developed ischemic stroke. The adjusted OR of AF for new-onset CI was 1.5, which showed a decreasing trend with an increasing number of atherosclerotic diseases; the interaction was not significant (P = 0.34). While age, diabetes mellitus, smoking, systolic blood pressure, and serum C-reactive protein concentration were positively associated with CI, intradialytic weight gain, body mass index, and serum albumin level were negatively associated. While we demonstrated the association between AF and new-onset CI among Japanese patients on hemodialysis, we failed to demonstrate the evidence that the association was attenuated with an increasing numbers of atherosclerotic complications.
A new design approach for dual-band power amplifiers based on dual-band HCC and bandpass filter
Authors: Zarghami Sepehr , Hayati Mohsen
Published: January 2024

This paper introduces a novel design approach based on the dual-band harmonic control circuit and bandpass filter for dual-band power amplifiers. The circuit schematic of the proposed approach is constructed using four resonators and RFC inductors. The first two resonators are dedicated to controlling the second harmonics, while the third and fourth resonators serve as a harmonic blocker, allowing only the main signals to pass through to the load. Subsequently, all components are replaced by circuits based on microstrip elements, forming the proposed OMN. This OMN includes a novel wideband bias circuit, elliptically coupled resonators, and a new dual-band bandpass filter. To ensure compatibility with the transistor, a compensator line has been integrated. As a result, a dual-band power amplifier has been fabricated and measured at two operating frequencies, 2.1 GHz and 2.91 GHz. The measured values for drain efficiency, output power, and power gain at 2.1 GHz are 75.98%, 37.5 dBm, and 12.5 dB, respectively. Similarly, at 2.91 GHz, these values are 75.73%, 37.24 dBm, and 12.24 dB, respectively.
Assessing antibody and nanobody nativeness for hit selection and humanization with AbNatiV
Authors: Ramon Aubin , Ali Montader , Atkinson Misha , Saturnino Alessio , Didi Kieran , Visentin Cristina , Ricagno Stefano , Xu Xing , Greenig Matthew , Sormanni Pietro
Published: January 2024

Monoclonal antibodies have emerged as key therapeutics. In particular, nanobodies, small, single-domain antibodies that are naturally expressed in camelids, are rapidly gaining momentum following the approval of the first nanobody drug in 2019. Nonetheless, the development of these biologics as therapeutics remains a challenge. Despite the availability of established in vitro directed-evolution technologies that are relatively fast and cheap to deploy, the gold standard for generating therapeutic antibodies remains discovery from animal immunization or patients. Immune-system-derived antibodies tend to have favourable properties in vivo, including long half-life, low reactivity with self-antigens and low toxicity. Here we present AbNatiV, a deep learning tool for assessing the nativeness of antibodies and nanobodies, that is, their likelihood of belonging to the distribution of immune-system-derived human antibodies or camelid nanobodies. AbNatiV is a multipurpose tool that accurately predicts the nativeness of Fv sequences from any source, including synthetic libraries and computational design. It provides an interpretable score that predicts the likelihood of immunogenicity, and a residue-level profile that can guide the engineering of antibodies and nanobodies indistinguishable from immune-system-derived ones. We further introduce an automated humanization pipeline, which we applied to two nanobodies. Laboratory experiments show that AbNatiV-humanized nanobodies retain binding and stability at par or better than their wild type, unlike nanobodies that are humanized using conventional structural and residue-frequency analysis. We make AbNatiV available as downloadable software and as a webserver.
In situ architecture of Opa1-dependent mitochondrial cristae remodeling
Authors: Fry Michelle Y , Navarro Paula P , Hakim Pusparanee , Ananda Virly Y , Qin Xingping , Landoni Juan C , Rath Sneha , Inde Zintis , Lugo Camila Makhlouta , Luce Bridget E , Ge Yifan , McDonald Julie L , Ali Ilzat , Ha Leillani L , Kleinstiver Benjamin P , Chan David C , Sarosiek Kristopher A , Chao Luke H
Published: January 2024

Cristae membrane state plays a central role in regulating mitochondrial function and cellular metabolism. The protein Optic atrophy 1 (Opa1) is an important crista remodeler that exists as two forms in the mitochondrion, a membrane-anchored long form (l-Opa1) and a processed short form (s-Opa1). The mechanisms for how Opa1 influences cristae shape have remained unclear due to lack of native three-dimensional views of cristae. We perform in situ cryo-electron tomography of cryo-focused ion beam milled mouse embryonic fibroblasts with defined Opa1 states to understand how each form of Opa1 influences cristae architecture. In our tomograms, we observe a variety of cristae shapes with distinct trends dependent on s-Opa1:l-Opa1 balance. Increased l-Opa1 levels promote cristae stacking and elongated mitochondria, while increased s-Opa1 levels correlated with irregular cristae packing and round mitochondria shape. Functional assays indicate a role for l-Opa1 in wild-type apoptotic and calcium handling responses, and show a compromised respiratory function under Opa1 imbalance. In summary, we provide three-dimensional visualization of cristae architecture to reveal relationships between mitochondrial ultrastructure and cellular function dependent on Opa1-mediated membrane remodeling.
Efficient solid- and solution-state emissive reusable solvatochromic fluorophores for colorimetric and fluorometric detection of CN−
Authors: Maji Atanu , Aich Krishnendu , Biswas Amitav , Gharami Saswati , Bera Biswajit , Mondal Tapan K.
Published: January 2024

A novel organic receptor, CPI, was fabricated for selective and sole recognition of CN− in real samples.
Paper-based colorimetric sensor using Photoshop and a smartphone app for the quantitative detection of carbofuran
Authors: Wu Kuo-Hui , Huang Wen-Chien , Wang Je-Chuang , Wang Shih-Hsien
Published: January 2024

We developed a smartphone-assisted microchemistry analyzer for the quantitative detection of carbofuran using a paper-based colorimetric sensor, Photoshop software, and a smartphone app.
Chemical reagents for the enrichment of modified peptides in MS-based identification
Authors: Huangfu Shangwei , Yu Xianqiang , Sun Ziyu , Jiang Biao , Chen Hongli
Published: January 2024

Chemical reagents with special groups as enrichable handles have empowered the ability to label and enrich modified peptides.
Enhanced protonation ability of covalent organic frameworksvia N,O-bidentate chelation for photocatalytic H2evolution
Authors: Li Xing , Pang Huaji , Zhu Yanqiu , Xiang Yonggang , Hu Jianxiang , Huang Dekang
Published: January 2024

This paper reports that COFs containing (N,O)-bidentate chelating sites contribute to enhanced protonation in the form of intramolecular hydrogen bonds (O–H⋯NC), thus exhibiting enhanced photocatalytic H2evolution performance.
A N-doped carbon-supported In2O3 catalyst for highly efficient CO2 electroreduction to HCOOH
Authors: Zhang Jie , Liang Manfen , Xu Haimei , Huang Hong , Meng Jian , Mu Jinglin , Miao Zhichao , Zhou Jin
Published: January 2024

The synergistic promotion of C and N species successfully enhances the activity of an In2O3@NC catalyst in CO2 electroreduction to HCOOH.
Effects of sulfoxide and sulfone sidechain–backbone hydrogen bonding on local conformations in peptide models
Authors: Liu Dayi , Robin Sylvie , Gloaguen Eric , Brenner Valérie , Mons Michel , Aitken David J.
Published: January 2024

Examination of peptide model systems with sidechain sulfoxide or sulfone functional groups has led to the discovery of a strong 7-membered ring N–H···OS sidechain–backbone hydrogen bond that stabilizes a C5 extended backbone conformation.
Fluoride-triggered phase transition of metallogels for on-demand in situ containment of fluids
Authors: Kim Junghwan , Kim Chungryeol , Lee Dongwhan
Published: January 2024

Fluoride-activated ligands drive a rapid sol–gel transition by cross-linking metals to build physical barriers that contain fluids and suppress chemical dissipation.
A NiCo2S4 octahedral configuration doped by Mn, Zn and Cu for the oxygen evolution reaction
Authors: Chen Yiting , Wu Hongyan , Tang Ning , Zhang Yong , Wang Yuqiao
Published: January 2024

Mn doping regulated the morphology and electronic structure of NiCo2S4 and accelerated the mass transport and electron transfer.
Diazepam-based covalent modifiers of GPX4 induce ferroptosis in liver cancer cells
Authors: Yadav Dharmendra K. , Tiwari Sona , Senthil Sathyapriya , Vechalapu Sai Kumari , Duraisamy Santhosh , Rawat Viral , Rahman Mohammed Isfahur , Khanna Shweta , Allimuthu Dharmaraja
Published: January 2024

The rapid rise of multidrug resistance in cancer demands the development of structurally and mechanistically unique drugs candidates. We report targeted covalent GPX4 modifiers as nanomolar inducers of ferroptosis in liver cancer cells.
Retraction: Carbon content drives high temperature superconductivity in a carbonaceous sulfur hydride below 100 GPa
Authors: Smith G. Alexander , Collings Ines E. , Snider Elliot , Smith Dean , Petitgirard Sylvain , Smith Jesse S. , White Melanie , Jones Elyse , Ellison Paul , Lawler Keith V. , Dias Ranga P. , Salamat Ashkan
Published: January 2024

Retraction of ‘Carbon content drives high temperature superconductivity in a carbonaceous sulfur hydride below 100 GPa’ by G. Alexander Smith et al., Chem. Commun., 2022, 58, 9064–9067, https://doi.org/10.1039/D2CC03170A.
Charge transporting and thermally activated delayed fluorescence materials for OLED applications
Authors: Kumar Krishan
Published: January 2024

The design and synthesis of efficient charge transporting and TADF materials for OLEDs is a real challenge, and serious considerations are required.
A computational study of electron transport in dynamic tetrahydrofuran and ethylene carbonate solvents on a Ca metal anode
Authors: Batzinger Kevin , Liepinya Diana , Smeu Manuel
Published: January 2024

AIMD simulations were performed on EC and THF in the presence of a Ca metal anode. EC decomposed into organic fragments which lowered electronic conductance. THF exhibited no decomposition and maintained a high conductance across the simulation cell.
Accidental triplet harvesting in donor–acceptor dyads with low spin–orbit coupling
Authors: Karak Pijush , Moitra Torsha , Banerjee Ambar , Ruud Kenneth , Chakrabarti Swapan
Published: January 2024

An accidental intersystem crossing mechanism for efficient triplet-harvesting in donor–acceptor molecules is brought about by indirect contribution from higher-lying triplet state of local excitation character at an optimal dihedral angle.
Transition mechanism of the coverage-dependent polymorphism of self-assembled melamine nanostructures on Au(111)
Authors: Zamalloa-Serrano Jorge Manuel , Gómez-Fernández José María , Sánchez-Sánchez Carlos , López María Francisca , Martínez José Ignacio , Martín-Gago José Ángel , Palacio Irene
Published: January 2024

The transition mechanism of the polymorphism of self-assembled melamine nanostructures on Au(111) is purely coverage-dependent.
Glycan-specific molecularly imprinted polymers towards cancer diagnostics: merits, applications, and future perspectives
Authors: Li Pengfei , Liu Zhen
Published: January 2024

This review surveys glycans as biomarkers and challenges in using glycan-binding receptors for cancer diagnosis. We highlight merits, applications, and future directions of using molecularly imprinted polymers as effective glycan-binding receptors.
Selectivity-controllable hydrogen transfer reduction of α,β-unsaturated aldehydes over high-entropy catalysts
Authors: Liu Ziling , Wang Jipeng , Gao Xiaoqian , Bi Yadong , Guo Chen , Tong Xinli
Published: January 2024

A selectivity-controllable H transfer reduction of α,β-unsaturated furanic aldehyde is developed using aliphatic alcohols as hydrogen sources in the presence of the high entropy CuCoAlNiFeOx catalyst.
Bimetallic nitride NiMoN loaded on graphitic carbon nitride for plasmon-enhanced visible light-driven photocatalytic hydrogen evolution from water splitting
Authors: Ullah Ikram , Habib Sadia , Lu Xiao-Jie , Li Jing-Han , Chen Shuai , Habib Aisha , Xu An-Wu
Published: January 2024

Plasmonic CN-NiMoN heterojunctions were prepared to enhance H2 evolution from water splitting under visible-light (λ ≥ 420 nm). Under visible-light irradiation, the optimal heterojunction shows 5.4 times higher activity than that of g-C3N4.
Comparative evaluation of enriched formula milk powder with OPO and MFGM vs. breastfeeding and regular formula milk powder in full-term infants: a comprehensive study on gut microbiota, neurodevelopment, and growth
Authors: Chen Botian , Jia Qiong , Chen Zekun , You Yanxia , Liu Yanpin , Zhao Junying , Chen Lijun , Ma Defu , Xing Yan
Published: January 2024

This study assessed the non-inferiority of feeding term infants enriched formula with 1,3-dioleoyl-2-palmitoylglycerol (OPO) and milk fat globular membrane (MFGM) versus breastfeeding, focusing on gut microbiota, neurodevelopment, and growth.
The role and impact of abnormal vitamin levels in autism spectrum disorders
Authors: Cui Jingjing , Zhai Zidan , Wang Shumin , Song Xiaoyue , Qiu Ting , Yu Leilei , Zhai Qixiao , Zhang Heng
Published: January 2024

This is a review of several vitamins (A, B, C, D, E, and K) that have been closely linked to the development of autism, exploring their mechanisms of action and significance in the prevention, mitigation, and treatment of autism.
Urinary caffeine and its metabolites in association with advanced liver fibrosis and liver steatosis: a nationwide cross-sectional study
Authors: Dong Rui , Zhang Ru , Shen Chao , Shen Ya , Shen Zhengkai , Tian Ting , Wang Jie
Published: January 2024

Most individual urinary caffeine metabolites and the major metabolite mixture were inversely linked to the risk of advanced liver fibrosis with subgroup variations. Only 7-MX was consistently linked to a reduced risk of liver steatosis.
Stabilization of Cu+ sites by amorphous Al2O3 to enhance electrochemical CO2 reduction to C2+ products
Authors: Cheng Hailian , Jia Shuaiqiang , Jiao Jiapeng , Chen Xiao , Deng Ting , Xue Cheng , Dong Mengke , Zeng Jianrong , Chen Chunjun , Wu Haihong , He Mingyuan , Han Buxing
Published: January 2024

The stabilized amorphous Al2O3 phase stabilizes the Cu+ site through oxidation state control, thereby improving the selectivity and activity for the production of the C2+ product.
Traceability of cold medications with similar ingredients based on laser-induced breakdown spectroscopy
Authors: Yao Lixing , Li Jingwen , Liu Yu , Shen Li , Wang Cong
Published: January 2024

Six cold medications with similar compositions were identified using t-SNE and BPNN combined with laser-induced breakdown spectroscopy.
Extending the application range of Hg isotopic analysis to sub-μg L−1 levels using cold vapor generation multi-collector inductively coupled plasma-mass spectrometry with 1013 ohm Faraday cup amplifiers
Authors: Suárez-Criado Laura , Bolea-Fernandez Eduardo , Abou-Zeid Lana , Vandermeiren Mathias , Rodríguez-González Pablo , Garcia Alonso Jose Ignacio , Vanhaecke Frank
Published: January 2024

The application range of high-precision isotopic analysis for identifying the origin of Hg in environmental compartments was extended to samples with lower concentrations levels by using of faraday cup amplifiers with higher ohmic resistance.
Revolutionizing targeting precision: microfluidics-enabled smart microcapsules for tailored delivery and controlled release
Authors: Ren Lingling , Liu Shuang , Zhong Junjie , Zhang Liyuan
Published: January 2024

Microfluidic-enabled smart microcapsules as delivery systems from droplet fabrication to tailored delivery and controlled release.
Self-assembled PHEA-based block copolymers for the synthesis of gold nanoparticles
Authors: Hermosillo-Ochoa Eduardo , Cortez-Lemus Norma A. , Reynoso-Soto Edgar A.
Published: January 2024

Copolymer based on poly(2-hydroxyethyl acrylate) comprising cholesteryl and cholic acid and their participation in forming AuNPs.
Visible-light photocatalyzed C–N bond activation of tertiary amines: a three-component approach to synthesize quinazolines
Authors: Arumugam Ajithkumar , Senadi Gopal Chandru
Published: January 2024

A metal-free three-component carbon synthon approach has been developed to prepare 2,4-disubstituted quinazolines from o-acylanilines, trialkylamines and ammonium chloride under visible-light using eosin Y as the photocatalyst with broad scope.
Conformational and static properties of tagged chains in solvents: effect of chain connectivity in solvent molecules
Authors: Li Hong-Yao , Zhang Bokai , Wang Zhi-Yong
Published: January 2024

The radius of gyration of tagged polymer chain: effect of chain length in solvent molecules.
Evolution dynamics of thin liquid structures investigated using a phase-field model
Authors: Wu Yanchen , Wang Fei , Zheng Sai , Nestler Britta
Published: January 2024

Droplet formation is intricately influenced by factors such as initial shape, physical properties, wettability, and wall relaxation effects. Under these conditions, the dynamics of droplet breakup exhibit pronounced distinctions.
Correction: Mangiferin ameliorates collateral neuropathy in tBHP induced apoptotic nephropathy by inflammation mediated kidney to brain crosstalk
Authors: Saha Sukanya , Mahalanobish Sushweta , Dutta Sayanta , Sil Parames C.
Published: January 2024

Correction for ‘Mangiferin ameliorates collateral neuropathy in tBHP induced apoptotic nephropathy by inflammation mediated kidney to brain crosstalk’ by Sukanya Saha et al., Food Funct., 2019, 10, 5981–5999, https://doi.org/10.1039/C9FO00329K.
Expression of concern: Synthesis of a Fe3O4@P4VP@metal–organic framework core–shell structure and studies of its aerobic oxidation reactivity
Authors: Miao Zongcheng , Shu Xin , Ramella Daniele
Published: January 2024

Expression of concern for ‘Synthesis of a Fe3O4@P4VP@metal–organic framework core–shell structure and studies of its aerobic oxidation reactivity’ by Zongcheng Miao et al., RSC Adv., 2017, 7, 2773–2779, https://doi.org/10.1039/C6RA25820D.
Correction: A high affinity pan-PI3K binding module supports selective targeted protein degradation of PI3Kα
Authors: Jauslin Werner Theodor , Schild Matthias , Schaefer Thorsten , Borsari Chiara , Orbegozo Clara , Bissegger Lukas , Zhanybekova Saule , Ritz Danilo , Schmidt Alexander , Wymann Matthias , Gillingham Dennis
Published: January 2024

Correction for ‘A high affinity pan-PI3K binding module supports selective targeted protein degradation of PI3Kα’ by Werner Theodor Jauslin et al., Chem. Sci., 2024, https://doi.org/10.1039/D3SC04629J.
Diversidade biológica em povoamentos de Pinus pinaster Aiton em Portugal – reflexão sobre decisões de gestão aliadas à conservação
Authors: Maia Paula , Rodrigues Diana , Carneiro Susana
Published: January 2024

Este trabalho é uma síntese do conhecimento atual sobre biodiversidade em pinhais. Não pretende ser um guia de biodiversidade, mas um resumo do conhecimento à data, assinalando a relação de vários grupos taxonómicos com as condições ambientais presentes em pinhais, algumas das quais possíveis de ser manipuladas por decisões de gestão específicas. Assim, este trabalho pretende ser um recurso de apoio na caracterização da biodiversidade presente em povoamentos de pinheiro-bravo, bem como contribuir para uma crescente adaptação na gestão florestal, realçando que a tomada de decisões específicas de gestão é preponderante para a conservação e promoção da biodiversidade.
Harris Hawks Algorithm Incorporating Tuna Swarm Algorithm and Differential Variance Strategy
Authors: XU Xiaohan , YANG Haima , ZHENG Heqing , LI Jun , LIU Jin , ZHANG Dawei , HUANG Hongxin
Published: January 2024

Because of the low convergence accuracy of the basic Harris Hawks algorithm, which quickly falls into the local optimal, a Harris Hawks algorithm combining tuna swarm algorithm and differential mutation strategy (TDHHO) is proposed. The escape energy factor of nonlinear periodic energy decline balances the ability of global exploration and regional development. The parabolic foraging approach of the tuna swarm algorithm is introduced to enhance the global exploration ability of the algorithm and accelerate the convergence speed. The difference variation strategy is used to mutate the individual position and calculate the fitness, and the fitness of the original individual position is compared. The greedy technique is used to select the one with better fitness of the objective function, which increases the diversity of the population and improves the possibility of the algorithm jumping out of the local extreme value. The test function tests the TDHHO algorithm, and compared with other optimization algorithms, the experimental results show that the convergence speed and optimization accuracy of the improved Harris Hawks are improved. Finally, the enhanced Harris Hawks algorithm is applied to engineering optimization and wireless sensor networks (WSN) coverage optimization problems, and the feasibility of the TDHHO algorithm in practical application is further verified.
A Lightweight Anonymous Authentication and Key Negotiation Scheme in Smart Home Environments
Authors: ZUO Xinyu , WANG Zhangang , LI Anqian , HUO Yuyan , NIU Shufang
Published: January 2024

With the rapid development of Internet of Things (IoT) technology, smart home users can access and control smart devices remotely to enjoy convenient and efficient services. However, sensitive data collected by smart devices is vulnerable to attacks such as eavesdropping and simulation when transmitted through public channels. At the same time, the security of resource-constrained smart devices is low, and attackers may use the controlled devices to carry out malicious operations further. To address the aforementioned existing security issues, this paper proposes a lightweight user anonymous authentication scheme for resource-constrained smart home environments. At the same time, the security analysis is carried out to further prove the proposed scheme's security. Finally, the performance analysis between the proposed scheme and the existing similar schemes proves that the proposed scheme has advantages in calculation cost and safety characteristics.