bluuebunny/crossref_metadata_2025_split huggingface dataset:
KIF15 is essential for USP10-mediated PGK1 deubiquitination during the glycolysis of pancreatic cancer
Authors: Quan Gang , Xu Jian , Wang Jie , Liu Xinyuan , Xu Jichuan , Jiang Jianxin 
Published: February 2023

AbstractGlycolysis is the most predominant metabolic reprogramming of pancreatic cancer (PC), the underlying mechanism of which in PC cells remains unclear. In this study, we found for the first time that KIF15 promotes the glycolytic capacity of PC cells and PC tumor growth. Moreover, the expression of KIF15 was negatively correlated with the prognosis of PC patients. The ECAR and OCR measurements indicated that KIF15 knockdown significantly impaired the glycolytic capacity of PC cells. Western blotting demonstrated that the expression of glycolysis molecular markers decreased rapidly after the knockdown of KIF15. Further experiments revealed that KIF15 promoted the stability of PGK1 and its effect on PC cell glycolysis. Interestingly, the overexpression of KIF15 impaired the ubiquitination level of PGK1. To investigate the underlying mechanism by which KIF15 regulates the function of PGK1, we performed mass spectrometry (MS). The MS and Co-IP assay indicated that KIF15 recruited and enhanced the binding between PGK1 and USP10. The ubiquitination assay verified that KIF15 recruited and promoted the effect of USP10 on PGK1, thereby deubiquitinating PGK1. Through the construction of KIF15 truncators, we found that KIF15 is bound to PGK1 and USP10 through its coil2 domain. Together, our study demonstrated for the first time that KIF15 enhances the glycolytic capacity of PC through the recruitment of USP10 and PGK1, and that the KIF15/USP10/PGK1 axis may serve as an effective therapeutic agent for PC.
General duality and magnet-free passive phononic Chern insulators
Authors: Zhang Qicheng , He Li , Mele Eugene J. , Zhen Bo , Johnson A. T. Charlie 
Published: February 2023

AbstractIntegrated phononics plays an important role in both fundamental physics and technology. Despite great efforts, it remains a challenge to break time-reversal symmetry to achieve topological phases and non-reciprocal devices. Piezomagnetic materials offer an intriguing opportunity as they break time-reversal symmetry intrinsically, without the need for an external magnetic field or an active driving field. Moreover, they are antiferromagnetic, and possibly compatible with superconducting components. Here, we develop a theoretical framework that combines linear elasticity with Maxwell’s equations via piezoelectricity and/or piezomagnetism beyond the commonly adopted quasi-static approximation. Our theory predicts and numerically demonstrates phononic Chern insulators based on piezomagnetism. We further show that the topological phase and chiral edge states in this system can be controlled by the charge doping. Our results exploit a general duality relation between piezoelectric and piezomagnetic systems, which can potentially be generalized to other composite metamaterial systems.
Experimental nonclassicality in a causal network without assuming freedom of choice
Authors: Polino Emanuele , Poderini Davide , Rodari Giovanni , Agresti Iris , Suprano Alessia , Carvacho Gonzalo , Wolfe Elie , Canabarro Askery , Moreno George , Milani Giorgio , Spekkens Robert W. , Chaves Rafael , Sciarrino Fabio 
Published: February 2023

AbstractIn a Bell experiment, it is natural to seek a causal account of correlations wherein only a common cause acts on the outcomes. For this causal structure, Bell inequality violations can be explained only if causal dependencies are modeled as intrinsically quantum. There also exists a vast landscape of causal structures beyond Bell that can witness nonclassicality, in some cases without even requiring free external inputs. Here, we undertake a photonic experiment realizing one such example: the triangle causal network, consisting of three measurement stations pairwise connected by common causes and no external inputs. To demonstrate the nonclassicality of the data, we adapt and improve three known techniques: (i) a machine-learning-based heuristic test, (ii) a data-seeded inflation technique generating polynomial Bell-type inequalities and (iii) entropic inequalities. The demonstrated experimental and data analysis tools are broadly applicable paving the way for future networks of growing complexity.
Fusion-based quantum computation
Authors: Bartolucci Sara , Birchall Patrick , Bombín Hector , Cable Hugo , Dawson Chris , Gimeno-Segovia Mercedes , Johnston Eric , Kieling Konrad , Nickerson Naomi , Pant Mihir , Pastawski Fernando , Rudolph Terry , Sparrow Chris 
Published: February 2023

AbstractThe standard primitives of quantum computing include deterministic unitary entangling gates, which are not natural operations in many systems including photonics. Here, we present fusion-based quantum computation, a model for fault tolerant quantum computing constructed from physical primitives readily accessible in photonic systems. These are entangling measurements, called fusions, which are performed on the qubits of small constant sized entangled resource states. Probabilistic photonic gates as well as errors are directly dealt with by the quantum error correction protocol. We show that this computational model can achieve a higher threshold than schemes reported in literature. We present a ballistic scheme which can tolerate a 10.4% probability of suffering photon loss in each fusion, which corresponds to a 2.7% probability of loss of each individual photon. The architecture is also highly modular and has reduced classical processing requirements compared to previous photonic quantum computing architectures.
Microwave-assisted design of nanoporous graphene membrane for ultrafast and switchable organic solvent nanofiltration
Authors: Kang Junhyeok , Ko Yeongnam , Kim Jeong Pil , Kim Ju Yeon , Kim Jiwon , Kwon Ohchan , Kim Ki Chul , Kim Dae Woo 
Published: February 2023

AbstractLayered two-dimensional materials can potentially be utilized for organic solvent nanofiltration (OSN) membrane fabrication owing to their precise molecular sieving by the interlayer structure and excellent stability in harsh conditions. Nevertheless, the extensive tortuosity of nanochannels and bulky solvent molecules impede rapid permeability. Herein, nanoporous graphene (NG) with a high density of sp2 carbon domain was synthesized via sequential thermal pore activation of graphene oxide (GO) and microwave-assisted reduction. Due to the smooth sp2 carbon domain surfaces and dense nanopores, the microwave-treated nanoporous graphene membrane exhibited ultrafast organic solvent permeance (e.g., IPA: 2278 LMH/bar) with excellent stability under practical cross-flow conditions. Furthermore, the membrane molecular weight cut-off (MWCO) is switchable from 500 Da size of molecule to sub-nanometer-size molecules depending on the solvent type, and this switching occurs spontaneously with solvent change. These properties indicate feasibility of multiple (both binary and ternary) organic mixture separation using a single membrane. The nanochannel structure effect on solvent transport is also investigated using computation calculations.
Native structure of mosquito salivary protein uncovers domains relevant to pathogen transmission
Authors: Liu Shiheng , Xia Xian , Calvo Eric , Zhou Z. Hong 
Published: February 2023

AbstractFemale mosquitoes inject saliva into vertebrate hosts during blood feeding. This process transmits mosquito-borne human pathogens that collectively cause ~1,000,000 deaths/year. Among the most abundant and conserved proteins secreted by female salivary glands is a high-molecular weight protein called salivary gland surface protein 1 (SGS1) that facilitates pathogen transmission, but its mechanism remains elusive. Here, we determine the native structure of SGS1 by the cryoID approach, showing that the 3364 amino-acid protein has a Tc toxin-like Rhs/YD shell, four receptor domains, and a set of C-terminal daisy-chained helices. These helices are partially shielded inside the Rhs/YD shell and poised to transform into predicted transmembrane helices. This transformation, and the numerous receptor domains on the surface of SGS1, are likely key in facilitating sporozoite/arbovirus invasion into the salivary glands and manipulating the host’s immune response.
Characterization of paramagnetic states in an organometallic nickel hydrogen evolution electrocatalyst
Authors: Chakrabarti Sagnik , Sinha Soumalya , Tran Giang N. , Na Hanah , Mirica Liviu M. 
Published: February 2023

AbstractSignificant progress has been made in the bioinorganic modeling of the paramagnetic states believed to be involved in the hydrogen redox chemistry catalyzed by [NiFe] hydrogenase. However, the characterization and isolation of intermediates involved in mononuclear Ni electrocatalysts which are reported to operate through a NiI/III cycle have largely remained elusive. Herein, we report a NiII complex (NCHS2)Ni(OTf)2, where NCHS2 is 3,7-dithia-1(2,6)-pyridina-5(1,3)-benzenacyclooctaphane, that is an efficient electrocatalyst for the hydrogen evolution reaction (HER) with turnover frequencies of ~3,000 s−1 and a overpotential of 670 mV in the presence of trifluoroacetic acid. This electrocatalyst follows a hitherto unobserved HER mechanism involving C-H activation, which manifests as an inverse kinetic isotope effect for the overall hydrogen evolution reaction, and NiI/NiIII intermediates, which have been characterized by EPR spectroscopy. We further validate the possibility of the involvement of NiIII intermediates by the independent synthesis and characterization of organometallic NiIII complexes.
Real-time observation of the buildup of polaron in α-FAPbI3
Authors: Yue Xingyu , Wang Chunwei , Zhang Bo , Zhang Zeyu , Xiong Zhuang , Zu Xinzhi , Liu Zhengzheng , Hu Zhiping , Odunmbaku George Omololu , Zheng Yujie , Sun Kuan , Du Juan 
Published: February 2023

AbstractThe formation of polaron, i.e., the strong coupling process between the carrier and lattice, is considered to play a crucial role in benefiting the photoelectric performance of hybrid organic-inorganic halide perovskites. However, direct observation of the dynamical formation of polarons occurring at time scales within hundreds of femtoseconds remains a technical challenge. Here, by terahertz emission spectroscopy, we demonstrate the real-time observation of polaron formation process in FAPbI3 films. Two different polaron resonances interpreted with the anharmonic coupling emission model have been studied: P1 at ~1 THz relates to the inorganic sublattice vibration mode and the P2 at ~0.4 THz peak relates to the FA+ cation rotation mode. Moreover, P2 could be further strengthened than P1 by pumping the hot carriers to the higher sub-conduction band. Our observations could open a door for THz emission spectroscopy to be a powerful tool in studying polaron formation dynamics in perovskites.
Common and distinct roles of amygdala subregional functional connectivity in non-motor symptoms of Parkinson’s disease
Authors: Wang Junling , Sun Lianglong , Chen Lili , Sun Junyan , Xie Yapei , Tian Dezheng , Gao Linlin , Zhang Dongling , Xia Mingrui , Wu Tao 
Published: February 2023

AbstractNeuroimaging studies suggest a pivotal role of amygdala dysfunction in non-motor symptoms (NMS) of Parkinson’s disease (PD). However, the relationship between amygdala subregions (the centromedial (CMA), basolateral (BLA) and superficial amygdala (SFA)) and NMS has not been delineated. We used resting-state functional MRI to examine the PD-related alterations in functional connectivity for amygdala subregions. The left three subregions and right BLA exhibited between-group differences, and were commonly hypo-connected with the frontal, temporal, insular cortex, and putamen in PD. Each subregion displayed distinct hypoconnectivity with the limbic systems. Partial least-squares analysis revealed distinct amygdala subregional involvement in diverse NMS. Hypo-connectivity of all four subregions was associated with emotion, pain, olfaction, and cognition. Hypo-connectivity of the left SFA was associated with sleepiness. Our findings highlight the hypofunction of the amygdala subregions in PD and their preliminary associations with NMS, providing new insights into the pathogenesis of NMS.
Coagulation of trace arsenic and cadmium from drinking water using titanium potassium oxalate
Authors: Zhou Juanjuan , Liu Yanwei , Li Bingqian , Li Huashou , Chen Guikui , Qiu Rongliang 
Published: February 2023

AbstractCoagulation is a simple and cost-effective water treatment method that does not work well in removing multiple cationic and anionic heavy metals simultaneously from drinking water. Titanium potassium oxalate (K2TiO(C2O4)2), a fur tanning reagent, was found to be able to efficiently remove arsenite (As(III)), arsenate (As(V)), and Cd simultaneously. A dose of 120 µmol/L K2TiO(C2O4)2 could remove more than 90% of As and Cd to meet the drinking water standards when their initial concentrations were 10 times their maximum concentration limits, whereas traditional coagulants, such as Fe2(SO4)3 and Al2(SO4)3, failed to meet the drinking water standards. Additionally, K2TiO(C2O4)2 coagulation consumes natural water hardness (Ca2+/Mg2+) to produce softer water and releases healthy K+ as a by-product. The mechanism study indicated that K2TiO(C2O4)2 reacted with natural calcium ions in drinking water to form calcium oxalate, while residual titanium was hydrolyzed with water to form hydrous titanium oxide. Arsenic was removed primarily via complexation with hydrous titanium oxide, while Cd was removed via the combined effect of adsorption by hydrous titanium oxide and mixed-crystal formation by calcium oxalate. This study provides an efficient coagulant for removing multiple heavy metals simultaneously, which can be applied in water treatment to provide safe and healthy drinking water.
An observational and Mendelian randomisation study on iron status and sepsis
Authors: Hamilton Fergus , Mitchell Ruth , Ahmed Haroon , Ghazal Peter , Timpson Nicholas J. 
Published: February 2023

AbstractIron deficiency is associated with a substantial burden of morbidity. However, supplementation of iron has been linked to increased rates of serious infection in randomised trials of children in sub-Saharan Africa. Randomised trials in other settings have been inconclusive and it is unknown if changes in levels of iron biomarkers are linked to sepsis in these other settings. We used genetic variants associated with levels of iron biomarkers as instrumental variables in a Mendelian randomisation (MR) analysis to test the hypothesis that increasing levels of iron biomarkers increase the risk of sepsis. In observational and MR analyses we found that increases in iron biomarkers increase the odds of sepsis. In stratified analyses, we show that this risk may be larger in those with iron deficiency and/or anaemia. Taken together, results here suggest a required caution in supplementation of iron and underline the role of iron homeostasis in severe infection.
Machine learning to predict late respiratory support in preterm infants: a retrospective cohort study
Authors: Wu Tsung-Yu , Lin Wei-Ting , Chen Yen-Ju , Chang Yu-Shan , Lin Chyi-Her , Lin Yuh-Jyh 
Published: February 2023

AbstractBronchopulmonary dysplasia (BPD) has been a critical morbidity in preterm infants. To improve our definition and prediction of BPD is challenging yet indispensable. We aimed to apply machine learning (ML) to investigate effective models by using the recently-proposed and data-driven definition to predict late respiratory support modalities at 36 weeks’ post menstrual age (PMA). We collected data on very-low-birth-weight infants born between 2016 and 2019 from the Taiwan Neonatal Network database. Twenty-four attributes associated with their early life and seven ML algorithms were used in our analysis. The target outcomes were overall mortality, death before 36 weeks’ PMA, and severity of BPD under the new definition, which served as a proxy for respiratory support modalities. Of the 4103 infants initially considered, 3200 were deemed eligible. The logistic regression algorithm yielded the highest area under the receiver operating characteristic curve (AUROC). After attribute selection, the AUROC of the simplified models remain favorable (e.g., 0.801 when predicting no BPD, 0.850 when predicting grade 3 BPD or death before 36 weeks’ PMA, and 0.881 when predicting overall mortality). By using ML, we developed models to predict late respiratory support. Estimators were developed for clinical application after being simplified through attribute selection.
Randomized multicenter trial to assess posterior capsule opacification and glistenings in two hydrophobic acrylic intraocular lenses
Authors: Auffarth Gerd U. , Brézin Antoine , Lignereux François , Khoramnia Ramin , Yildirim Timur M. , Kohnen Thomas , Bianco Jessica 
Published: February 2023

AbstractTo evaluate the long-term posterior capsule opacification (PCO) formation, and glistening rate of the HOYA Vivinex (XY1) IOL compared to Alcon AcrySof (SN60WF). In this prospective, multicentric, randomized, paired-eye, open-label study, we included 87 subjects that underwent cataract surgery with IOL implantation, with 67 patients completing the 3-year follow-up. The completer population consisted of 32 subjects implanted with XY1 and 35 implanted with SN60WF. Primary endpoints consisted of the evaluation of glistenings and measurement of PCO. Secondary outcomes included Best Corrected Distance Visual Acuity (BCVA), Contrast Acuity (CA), uncorrected visual acuities, subjective refraction, medical and lens complication rates, adverse events, and optical/visual symptoms. Follow-up visits occurred at 6-months, 1-, 2- and 3-years. At 3-years follow-up, mean PCO score was 0.121 ± 0.193 for eyes implanted with Vivinex versus 0.239 ± 0.463 for AcrySof (p = 0.026). The Vivinex IOL showed statistically significantly lower glistening occurrence through 3-years postoperatively (0.14 ± 0.26) compared to AcrySof (1.79 ± 1.43; p < 0.0001). Postoperative visual acuities improved from baseline in both IOL groups (p < 0.0001), and remained stable through the 3-year follow-up period. Eyes implanted with a HOYA Vivinex IOL exhibited significantly lower occurrence of glistening at 3-years versus Alcon AcrySof (p < 0.0001). Incidence of PCO was very low and comparable in both Vivinex and AcrySof eyes.
Modeling the infection risk and emergency evacuation from bioaerosol leakage around an urban vaccine factory
Authors: Liu Zhijian , Cao Hongwei , Hu Chenxing , Wu Minnan , Zhang Siqi , He Junzhou , Jiang Chuan 
Published: February 2023

AbstractMounting interest in modeling outdoor diffusion and transmission of bioaerosols due to the prevalence of COVID-19 in the urban environment has led to better knowledge of the issues concerning exposure risk and evacuation planning. In this study, the dispersion and deposition dynamics of bioaerosols around a vaccine factory were numerically investigated under various thermal conditions and leakage rates. To assess infection risk at the pedestrian level, the improved Wells-Riley equation was used. To predict the evacuation path, Dijkstra’s algorithm, a derived greedy algorithm based on the improved Wells-Riley equation, was applied. The results show that, driven by buoyancy force, the deposition of bioaerosols can reach 80 m on the windward sidewall of high-rise buildings. Compared with stable thermal stratification, the infection risk of unstable thermal stratification in the upstream portion of the study area can increase by 5.53% and 9.92% under a low and high leakage rate, respectively. A greater leakage rate leads to higher infection risk but a similar distribution of high-risk regions. The present work provides a promising approach for infection risk assessment and evacuation planning for the emergency response to urban bioaerosol leakage.
Continuous advance in the onset of vegetation green-up in the Northern Hemisphere, during hiatuses in spring warming
Authors: Jiang Nan , Shen Miaogen , Chen Jin , Yang Wei , Zhu Xiaolin , Wang Xufeng , Peñuelas Josep 
Published: February 2023

AbstractPrevious studies have documented substantial advancing trends in the onset date of vegetation green-up (VGD) during the 1980s and 1990s over the Northern Hemisphere, while later studies based on data from the spaceborne advanced very high-resolution radiometer (AVHRR) have reported this trend stalled during the warming hiatus from the late 1990s to early 2010s. However, there is uncertainty in this finding of a hiatus in VGD advance due to the identification of quality issues associated with the data from AVHRR. Using the high-quality data from the Moderate Resolution Imaging Spectroradiometer, we show VGD significantly advanced despite the warming hiatus due to the high sensitivity of VGD to temperature and the magnitude of VGD advance over 2000–2021 (2.5–2.6 days decade–1, P < 0.01) is close to that over 1982–1999 or 1982–2002 with intensive warming, which suggests caution be exercised in the inference of climate warming based on advances in spring phenology.
Detailed analysis of distorted retinal and its interaction with surrounding residues in the K intermediate of bacteriorhodopsin
Authors: Taguchi Shoun , Niwa Satomi , Dao Hoang-Anh , Tanaka Yoshihiro , Takeda Ryota , Fukai Shuya , Hasegawa Kazuya , Takeda Kazuki 
Published: February 2023

AbstractThe K intermediate of proton pumping bacteriorhodopsin is the first intermediate generated after isomerization of retinal to the 13-cis form. Although various structures have been reported for the K intermediate until now, these differ from each other, especially in terms of the conformation of the retinal chromophore and its interaction with surrounding residues. We report here an accurate X-ray crystallographic analysis of the K structure. The polyene chain of 13-cis retinal is observed to be S-shaped. The side chain of Lys216, which is covalently bound to retinal via the Schiff-base linkage, interacts with residues, Asp85 and Thr89. In addition, the Nζ-H of the protonated Schiff-base linkage interacts with a residue, Asp212 and a water molecule, W402. Based on quantum chemical calculations for this K structure, we examine the stabilizing factors of distorted conformation of retinal and propose a relaxation manner to the next L intermediate.
Hierarchical Molecular Graph Self-Supervised Learning for property prediction
Authors: Zang Xuan , Zhao Xianbing , Tang Buzhou 
Published: February 2023

AbstractMolecular graph representation learning has shown considerable strength in molecular analysis and drug discovery. Due to the difficulty of obtaining molecular property labels, pre-training models based on self-supervised learning has become increasingly popular in molecular representation learning. Notably, Graph Neural Networks (GNN) are employed as the backbones to encode implicit representations of molecules in most existing works. However, vanilla GNN encoders ignore chemical structural information and functions implied in molecular motifs, and obtaining the graph-level representation via the READOUT function hinders the interaction of graph and node representations. In this paper, we propose Hierarchical Molecular Graph Self-supervised Learning (HiMol), which introduces a pre-training framework to learn molecule representation for property prediction. First, we present a Hierarchical Molecular Graph Neural Network (HMGNN), which encodes motif structure and extracts node-motif-graph hierarchical molecular representations. Then, we introduce Multi-level Self-supervised Pre-training (MSP), in which corresponding multi-level generative and predictive tasks are designed as self-supervised signals of HiMol model. Finally, superior molecular property prediction results on both classification and regression tasks demonstrate the effectiveness of HiMol. Moreover, the visualization performance in the downstream dataset shows that the molecule representations learned by HiMol can capture chemical semantic information and properties.