bluuebunny/crossref_metadata_2025_split huggingface dataset:
Electrochemical synthesis of peptide aldehydes via C‒N bond cleavage of cyclic amines
Authors: Fang Xinyue , Zeng Yong , Huang Yawen , Zhu Zile , Lin Shengsheng , Xu Wenyan , Zheng Chengwei , Hu Xinwei , Qiu Youai , Ruan Zhixiong 
Published: June 2024

AbstractPeptide aldehydes are crucial biomolecules essential to various biological systems, driving a continuous demand for efficient synthesis methods. Herein, we develop a metal-free, facile, and biocompatible strategy for direct electrochemical synthesis of unnatural peptide aldehydes. This electro-oxidative approach enabled a step- and atom-economical ring-opening via C‒N bond cleavage, allowing for homoproline-specific peptide diversification and expansion of substrate scope to include amides, esters, and cyclic amines of various sizes. The remarkable efficacy of the electro-synthetic protocol set the stage for the efficient modification and assembly of linear and macrocyclic peptides using a concise synthetic sequence with racemization-free conditions. Moreover, the combination of experiments and density functional theory (DFT) calculations indicates that different N-acyl groups play a decisive role in the reaction activity.
Ecological trade-offs drive phenotypic and genetic differentiation of Arabidopsis thaliana in Europe
Authors: Bastias Cristina C. , Estarague Aurélien , Vile Denis , Gaignon Elza , Lee Cheng-Ruei , Exposito-Alonso Moises , Violle Cyrille , Vasseur François 
Published: June 2024

AbstractPlant diversity is shaped by trade-offs between traits related to competitive ability, propagule dispersal, and stress resistance. However, we still lack a clear understanding of how these trade-offs influence species distribution and population dynamics. InArabidopsis thaliana, recent genetic analyses revealed a group of cosmopolitan genotypes that successfully recolonized Europe from its center after the last glaciation, excluding older (relict) lineages from the distribution except for their north and south margins. Here, we tested the hypothesis that cosmopolitans expanded due to higher colonization ability, while relicts persisted at the margins due to higher tolerance to competition and/or stress. We compared the phenotypic and genetic differentiation between 71 European genotypes originating from the center, and the south and north margins. We showed that a trade-off between plant fecundity and seed mass shapes the differentiation ofA. thalianain Europe, suggesting that the success of the cosmopolitan groups could be explained by their high dispersal ability. However, at both north and south margins, we found evidence of selection for alleles conferring low dispersal but highly competitive and stress-resistance abilities. This study sheds light on the role of ecological trade-offs as evolutionary drivers of the distribution and dynamics of plant populations.
Neural network variational Monte Carlo for positronic chemistry
Authors: Cassella Gino , Foulkes W. M. C. , Pfau David , Spencer James S. 
Published: June 2024

AbstractQuantum chemical calculations of the ground-state properties of positron-molecule complexes are challenging. The main difficulty lies in employing an appropriate basis set for representing the coalescence between electrons and a positron. Here, we tackle this problem with the recently developed Fermionic neural network (FermiNet) wavefunction, which does not depend on a basis set. We find that FermiNet produces highly accurate, in some cases state-of-the-art, ground-state energies across a range of atoms and small molecules with a wide variety of qualitatively distinct positron binding characteristics. We calculate the binding energy of the challenging non-polar benzene molecule, finding good agreement with the experimental value, and obtain annihilation rates which compare favourably with those obtained with explicitly correlated Gaussian wavefunctions. Our results demonstrate a generic advantage of neural network wavefunction-based methods and broaden their applicability to systems beyond the standard molecular Hamiltonian.
Total and H-specific GDF-15 levels increase in caloric deprivation independently of leptin in humans
Authors: Chrysafi Pavlina , Valenzuela-Vallejo Laura , Stefanakis Konstantinos , Kelesidis Theodoros , Connelly Margery A. , Mantzoros Christos S. 
Published: June 2024

AbstractMitochondrial-secreted growth differentiation factor-15 (GDF-15) promotes weight loss in animals. Its effects in humans remain unclear, due to limited research and potential measurement interference from the H202D-variant. Our post-hoc analysis investigates total (irrespective of genetic variants) and H-specific GDF-15 (detected only in H202D-variant absence) in humans under acute and chronic energy deprivation, examining GDF-15 interaction with leptin (energy homeostasis regulator) and GDF-15 biologic activity modulation by the H202D-variant. Total and H-specific GDF-15 increased with acute starvation, and total GDF-15 increased with chronic energy deprivation, compared with healthy subjects and regardless of leptin repletion. Baseline GDF-15 positively correlated with triglyceride-rich particles and lipoproteins. During acute metabolic stress, GDF-15 associations with metabolites/lipids appeared to differ in subjects with the H202D-variant. Our findings suggest GDF-15 increases with energy deprivation in humans, questioning its proposed weight loss and suggesting its function as a mitokine, reflecting or mediating metabolic stress response.
Anisotropic thermal conductivity of antigorite along slab subduction impacts seismicity of intermediate-depth earthquakes
Authors: Chien Yu-Hsiang , Marzotto Enrico , Tsao Yi-Chi , Hsieh Wen-Pin 
Published: June 2024

AbstractDouble seismic zones (DSZs) are a feature of some subducting slabs, where intermediate-depth earthquakes (~70–300 km) align along two separate planes. The upper seismic plane is generally attributed to dehydration embrittlement, whereas mechanisms forming the lower seismic plane are still debated. Thermal conductivity of slab minerals is expected to control the temperature evolution of subducting slabs, and therefore their seismicity. However, effects of the potential anisotropic thermal conductivity of layered serpentine minerals with crystal preferred orientation on slab’s thermal evolution remain poorly understood. Here we measure the lattice thermal conductivity of antigorite, a hydrous serpentine mineral, along its crystallographic b- and c-axis at relevant high pressure-temperature conditions of subduction. We find that antigorite’s thermal conductivity along the c-axis is ~3–4 folds smaller than the b-axis. Our numerical models further reveal that when the low-thermal-conductivity c-axis is aligned normal to the slab dip, antigorite’s strongly anisotropic thermal conductivity enables heating at the top portion of the slab, facilitating dehydration embrittlement that causes the seismicity in the upper plane of DSZs. Potentially, the antigorite’s thermal insulating effect also hinders the dissipation of frictional heat inside shear zones, promoting thermal runaway along serpentinized faults that could trigger intermediate-depth earthquakes.
Cholesterol efflux from C1QB-expressing macrophages is associated with resistance to chimeric antigen receptor T cell therapy in primary refractory diffuse large B cell lymphoma
Authors: Yan Zi-Xun , Dong Yan , Qiao Niu , Zhang Yi-Lun , Wu Wen , Zhu Yue , Wang Li , Cheng Shu , Xu Peng-Peng , Zhou Zi-Song , Sheng Ling-Shuang , Zhao Wei-Li 
Published: June 2024

AbstractChimeric antigen receptor T (CAR-T) cell therapy has demonstrated promising efficacy in early trials for relapsed/refractory diffuse large B cell lymphoma (DLBCL). However, its efficacy in treating primary refractory DLBCL has not been comprehensively investigated, and the underlying resistance mechanisms remain unclear. Here, we report the outcomes of a phase I, open-label, single-arm clinical trial of relmacabtagene autoleucel (relma-cel), a CD19-targeted CAR-T cell product, with safety and efficacy as primary endpoints. Among the 12 enrolled patients, 8 experienced grade 4 hematologic toxicity of treatment-emergent adverse event. No grade ≥3 cytokine release syndrome or neurotoxicity occurred. Single-cell RNA sequencing revealed an increase proportion ofC1QB-expressing macrophages in patients with progressive disease before CAR-T cell therapy. Cholesterol efflux from M2 macrophages was found to inhibit CAR-T cells cytotoxicity by inducing an immunosuppressive state in CD8+T cells, leading to their exhaustion. Possible interactions between macrophages and CD8+T cells, mediating lipid metabolism (AFR1-FAS), immune checkpoint activation, and T cell exhaustion (LGALS9-HAVCR2, CD86-CTLA4, andNECTIN2-TIGIT) were enhanced during disease progression. These findings suggest that cholesterol efflux from macrophages may trigger CD8+T cell exhaustion, providing a rationale for metabolic reprogramming to counteract CAR-T treatment failure. Chinadrugtrials.org.cn identifier: CTR20200376.
Deciphering in-situ surface reconstruction in two-dimensional CdPS3 nanosheets for efficient biomass hydrogenation
Authors: Sendeku Marshet Getaye , Harrath Karim , Dajan Fekadu Tsegaye , Wu Binglan , Hussain Sabir , Gao Ning , Zhan Xueying , Yang Ying , Wang Zhenxing , Chen Chen , Liu Weiqiang , Wang Fengmei , Duan Haohong , Sun Xiaoming 
Published: June 2024

AbstractSteering on the intrinsic active site of an electrode material is essential for efficient electrochemical biomass upgrading to valuable chemicals with high selectivity. Herein, we show that an in-situ surface reconstruction of a two-dimensional layered CdPS3 nanosheet electrocatalyst, triggered by electrolyte, facilitates efficient 5-hydroxymethylfurfural (HMF) hydrogenation to 2,5-bis(hydroxymethyl)furan (BHMF) under ambient condition. The in-situ Raman spectroscopy and comprehensive post-mortem catalyst characterizations evidence the construction of a surface-bounded CdS layer on CdPS3 to form CdPS3/CdS heterostructure. This electrocatalyst demonstrates promising catalytic activity, achieving a Faradaic efficiency for BHMF reaching 91.3 ± 2.3 % and a yield of 4.96 ± 0.16 mg/h at − 0.7 V versus reversible hydrogen electrode. Density functional theory calculations reveal that the in-situ generated CdPS3/CdS interface plays a pivotal role in optimizing the adsorption of HMF* and H* intermediate, thus facilitating the HMF hydrogenation process. Furthermore, the reconstructed CdPS3/CdS heterostructure cathode, when coupled with MnCo2O4.5 anode, enables simultaneous BHMF and formate synthesis from HMF and glycerol substrates with high efficiency.
Characterize direct protein interactions with enrichable, cleavable and latent bioreactive unnatural amino acids
Authors: Liu Dan-Dan , Ding Wenlong , Cheng Jin-Tao , Wei Qiushi , Lin Yinuo , Zhu Tian-Yi , Tian Jing , Sun Ke , Zhang Long , Lu Peilong , Yang Fan , Liu Chao , Tang Shibing , Yang Bing 
Published: June 2024

AbstractLatent bioreactive unnatural amino acids (Uaas) have been widely used in the development of covalent drugs and identification of protein interactors, such as proteins, DNA, RNA and carbohydrates. However, it is challenging to perform high-throughput identification of Uaa cross-linking products due to the complexities of protein samples and the data analysis processes. Enrichable Uaas can effectively reduce the complexities of protein samples and simplify data analysis, but few cross-linked peptides were identified from mammalian cell samples with these Uaas. Here we develop an enrichable and multiple amino acids reactive Uaa, eFSY, and demonstrate that eFSY is MS cleavable when eFSY-Lys and eFSY-His are the cross-linking products. An identification software, AixUaa is developed to decipher eFSY mass cleavable data. We systematically identify direct interactomes of Thioredoxin 1 (Trx1) and Selenoprotein M (SELM) with eFSY and AixUaa.
Structural basis for an early stage of the photosystem II repair cycle in Chlamydomonas reinhardtii
Authors: Li Anjie , You Tingting , Pang Xiaojie , Wang Yidi , Tian Lijin , Li Xiaobo , Liu Zhenfeng 
Published: June 2024

AbstractPhotosystem II (PSII) catalyzes water oxidation and plastoquinone reduction by utilizing light energy. It is highly susceptible to photodamage under high-light conditions and the damaged PSII needs to be restored through a process known as the PSII repair cycle. The detailed molecular mechanism underlying the PSII repair process remains mostly elusive. Here, we report biochemical and structural features of a PSII-repair intermediate complex, likely arrested at an early stage of the PSII repair process in the green alga Chlamydomonas reinhardtii. The complex contains three protein factors associated with a damaged PSII core, namely Thylakoid Enriched Factor 14 (TEF14), Photosystem II Repair Factor 1 (PRF1), and Photosystem II Repair Factor 2 (PRF2). TEF14, PRF1 and PRF2 may facilitate the release of the manganese-stabilizing protein PsbO, disassembly of peripheral light-harvesting complexes from PSII and blockage of the QB site, respectively. Moreover, an α-tocopherol quinone molecule is located adjacent to the heme group of cytochrome b559, potentially fulfilling a photoprotective role by preventing the generation of reactive oxygen species.
Inhibiting perovskite decomposition by a creeper-inspired strategy enables efficient and stable perovskite solar cells
Authors: Du Shuxian , Huang Hao , Lan Zhineng , Cui Peng , Li Liang , Wang Min , Qu Shujie , Yan Luyao , Sun Changxu , Yang Yingying , Wang Xinxin , Li Meicheng 
Published: June 2024

AbstractThe commercialization of perovskite solar cells is badly limited by stability, an issue determined mainly by perovskite. Herein, inspired by a natural creeper that can cover the walls through suckers, we adopt polyhexamethyleneguanidine hydrochloride as a molecular creeper on perovskite to inhibit its decomposition starting from the annealing process. The molecule possesses a long-line molecular structure where the guanidinium groups can serve as suckers that strongly anchor cations through multiple hydrogen bonds. These features make the molecular creeper can cover perovskite grains and inhibit perovskite decomposition by suppressing cations’ escape. The resulting planar perovskite solar cells achieve an efficiency of 25.42% (certificated 25.36%). Moreover, the perovskite film and device exhibit enhanced stability even under harsh damp-heat conditions. The devices can maintain >96% of their initial efficiency after 1300 hours of operation under 1-sun illumination and 1000 hours of storage under 85% RH, respectively.
Plasma extracellular vesicle tau and TDP-43 as diagnostic biomarkers in FTD and ALS
Authors: Chatterjee Madhurima , Özdemir Selcuk , Fritz Christian , Möbius Wiebke , Kleineidam Luca , Mandelkow Eckhard , Biernat Jacek , Doğdu Cem , Peters Oliver , Cosma Nicoleta Carmen , Wang Xiao , Schneider Luisa-Sophia , Priller Josef , Spruth Eike , Kühn Andrea A. , Krause Patricia , Klockgether Thomas , Vogt Ina R. , Kimmich Okka , Spottke Annika , Hoffmann Daniel C. , Fliessbach Klaus , Miklitz Carolin , McCormick Cornelia , Weydt Patrick , Falkenburger Björn , Brandt Moritz , Guenther René , Dinter Elisabeth , Wiltfang Jens , Hansen Niels , Bähr Mathias , Zerr Inga , Flöel Agnes , Nestor Peter J. , Düzel Emrah , Glanz Wenzel , Incesoy Enise , Bürger Katharina , Janowitz Daniel , Perneczky Robert , Rauchmann Boris S. , Hopfner Franziska , Wagemann Olivia , Levin Johannes , Teipel Stefan , Kilimann Ingo , Goerss Doreen , Prudlo Johannes , Gasser Thomas , Brockmann Kathrin , Mengel David , Zimmermann Milan , Synofzik Matthis , Wilke Carlo , Selma-González Judit , Turon-Sans Janina , Santos-Santos Miguel Angel , Alcolea Daniel , Rubio-Guerra Sara , Fortea Juan , Carbayo Álvaro , Lleó Alberto , Rojas-García Ricardo , Illán-Gala Ignacio , Wagner Michael , Frommann Ingo , Roeske Sandra , Bertram Lucas , Heneka Michael T. , Brosseron Frederic , Ramirez Alfredo , Schmid Matthias , Beschorner Rudi , Halle Annett , Herms Jochen , Neumann Manuela , Barthélemy Nicolas R. , Bateman Randall J. , Rizzu Patrizia , Heutink Peter , Dols-Icardo Oriol , Höglinger Günter , Hermann Andreas , Schneider Anja 
Published: June 2024

AbstractMinimally invasive biomarkers are urgently needed to detect molecular pathology in frontotemporal dementia (FTD) and amyotrophic lateral sclerosis (ALS). Here, we show that plasma extracellular vesicles (EVs) contain quantifiable amounts of TDP-43 and full-length tau, which allow the quantification of 3-repeat (3R) and 4-repeat (4R) tau isoforms. Plasma EV TDP-43 levels and EV 3R/4R tau ratios were determined in a cohort of 704 patients, including 37 genetically and 31 neuropathologically proven cases. Diagnostic groups comprised patients with TDP-43 proteinopathy ALS, 4R tauopathy progressive supranuclear palsy, behavior variant FTD (bvFTD) as a group with either tau or TDP-43 pathology, and healthy controls. EV tau ratios were low in progressive supranuclear palsy and high in bvFTD with tau pathology. EV TDP-43 levels were high in ALS and in bvFTD with TDP-43 pathology. Both markers discriminated between the diagnostic groups with area under the curve values >0.9, and between TDP-43 and tau pathology in bvFTD. Both markers strongly correlated with neurodegeneration, and clinical and neuropsychological markers of disease severity. Findings were replicated in an independent validation cohort of 292 patients including 34 genetically confirmed cases. Taken together, the combination of EV TDP-43 levels and EV 3R/4R tau ratios may aid the molecular diagnosis of FTD, FTD spectrum disorders and ALS, providing a potential biomarker to monitor disease progression and target engagement in clinical trials.
The cryoEM structure of the Hendra henipavirus nucleoprotein reveals insights into paramyxoviral nucleocapsid architectures
Authors: Passchier Tim C. , White Joshua B. R. , Maskell Daniel P. , Byrne Matthew J. , Ranson Neil A. , Edwards Thomas A. , Barr John N. 
Published: June 2024

AbstractWe report the first cryoEM structure of the Hendra henipavirus nucleoprotein in complex with RNA, at 3.5 Å resolution, derived from single particle analysis of a double homotetradecameric RNA-bound N protein ring assembly exhibiting D14 symmetry. The structure of the HeV N protein adopts the common bi-lobed paramyxoviral N protein fold; the N-terminal and C-terminal globular domains are bisected by an RNA binding cleft containing six RNA nucleotides and are flanked by the N-terminal and C-terminal arms, respectively. In common with other paramyxoviral nucleocapsids, the lateral interface between adjacent Ni and Ni+1 protomers involves electrostatic and hydrophobic interactions mediated primarily through the N-terminal arm and globular domains with minor contribution from the C-terminal arm. However, the HeV N multimeric assembly uniquely identifies an additional protomer-protomer contact between the Ni+1 N-terminus and Ni−1 C-terminal arm linker. The model presented here broadens the understanding of RNA-bound paramyxoviral nucleocapsid architectures and provides a platform for further insight into the molecular biology of HeV, as well as the development of antiviral interventions.
Association between blood groups and myocardial injury after non-cardiac surgery: a retrospective cohort study
Authors: Li Jinze , Li Wangyu , Li Longyun , Yang Shengze , Zhao Guoqing , Li Kai 
Published: June 2024

AbstractBlood group is a potential genetic element in coronary artery disease. Nevertheless, the relationship between different ABO blood groups and myocardial injury after non-cardiac surgery (MINS) is poorly understood. This study verified whether ABO blood group is a potential MINS influencing factor. This retrospective cohort study included 1201 patients who underwent elective non-cardiac surgery and a mandatory troponin test on postoperative days 1 and 2 from 2019 to 2020 at a university-affiliated tertiary hospital. The primary outcome was associations between ABO blood groups and MINS, assessed using univariate and multivariate logistic-regression analyses. Path analysis was used to investigate direct and indirect effects between blood group and MINS. MINS incidence (102/1201, 8.5%) was higher in blood-type B patients than in non-B patients [blood-type B: 44/400 (11.0%) vs. non-B: 58/801 (7.2%); adjusted odds ratio = 1.57 (1.03–2.38); p = 0.036]. In the confounding factor model, preoperative hypertension and coronary artery disease medical history were associated with MINS risk [adjusted odds ratio: 2.00 (1.30–3.06), p = 0.002; 2.81 (1.71–4.61), p < 0.001, respectively]. Path analysis did not uncover any mediating role for hypertension, diabetes, or coronary artery disease between blood type and MINS. Therefore, blood-type B is associated with higher MINS risk; potential mediators of this association need to be investigated.
Biological direct-shortcut deep residual learning for sparse visual processing
Authors: Jahani Yekta Mohammad Mahdi 
Published: June 2024

AbstractWe show, based on the following three grounds, that the primary visual cortex (V1) is a biological direct-shortcut deep residual learning neural network (ResNet) for sparse visual processing: (1) We first highlight that Gabor-like sets of basis functions, which are similar to the receptive fields of simple cells in the primary visual cortex (V1), are excellent candidates for sparse representation of natural images; i.e., images from the natural world, affirming the brain to be optimized for this. (2) We then prove that the intra-layer synaptic weight matrices of this region can be reasonably first-order approximated by identity mappings, and are thus sparse themselves. (3) Finally, we point out that intra-layer weight matrices having identity mapping as their initial approximation, irrespective of this approximation being also a reasonable first-order one or not, resemble the building blocks of direct-shortcut digital ResNets, which completes the grounds. This biological ResNet interconnects the sparsity of the final representation of the image to that of its intra-layer weights. Further exploration of this ResNet, and understanding the joint effects of its architecture and learning rules, e.g. on its inductive bias, could lead to major advancements in the area of bio-inspired digital ResNets. One immediate line of research in this context, for instance, is to study the impact of forcing the direct-shortcuts to be good first-order approximations of each building block. For this, along with the $${{\ell}}_{1}$$

ℓ
1

-minimization posed on the basis function coefficients the ResNet finally provides at its output, another parallel one could e.g. also be posed on the weights of its residual layers.