bluuebunny/crossref_metadata_2025_split huggingface dataset:
Longitudinal Associations of Magnetic Susceptibility with Clinical Severity in Parkinson's Disease
Authors: Thomas George E.C. , Hannaway Naomi , Zarkali Angelika , Shmueli Karin , Weil Rimona S. 
Published: January 2024

AbstractBackgroundDementia is common in Parkinson's disease (PD), but there is wide variation in its timing. A critical gap in PD research is the lack of quantifiable markers of progression, and methods to identify early stages of dementia. Atrophy‐based magnetic resonance imaging (MRI) has limited sensitivity in detecting or tracking changes relating to PD dementia, but quantitative susceptibility mapping (QSM), sensitive to brain tissue iron, shows potential for these purposes.ObjectiveThe objective of the paper is to study, for the first time, the longitudinal relationship between cognition and QSM in PD in detail.MethodsWe present a longitudinal study of clinical severity in PD using QSM, including 59 PD patients (without dementia at study onset), and 22 controls over 3 years.ResultsIn PD, increased baseline susceptibility in the right temporal cortex, nucleus basalis of Meynert, and putamen was associated with greater cognitive severity after 3 years; and increased baseline susceptibility in basal ganglia, substantia nigra, red nucleus, insular cortex, and dentate nucleus was associated with greater motor severity after 3 years. Increased follow‐up susceptibility in these regions was associated with increased follow‐up cognitive and motor severity, with further involvement of hippocampus relating to cognitive severity. However, there were no consistent increases in susceptibility over 3 years.ConclusionsOur study suggests that QSM may predict changes in cognitive severity many months prior to overt cognitive involvement in PD. However, we did not find robust longitudinal changes in QSM over the course of the study. Additional tissue metrics may be required together with QSM for it to monitor progression in clinical practice and therapeutic trials. © 2024 The Authors. Movement Disorders published by Wiley Periodicals LLC on behalf of International Parkinson and Movement Disorder Society.
The emergence of machine learning force fields in drug design
Authors: Chen Mingan , Jiang Xinyu , Zhang Lehan , Chen Xiaoxu , Wen Yiming , Gu Zhiyong , Li Xutong , Zheng Mingyue 
Published: January 2024

AbstractIn the field of molecular simulation for drug design, traditional molecular mechanic force fields and quantum chemical theories have been instrumental but limited in terms of scalability and computational efficiency. To overcome these limitations, machine learning force fields (MLFFs) have emerged as a powerful tool capable of balancing accuracy with efficiency. MLFFs rely on the relationship between molecular structures and potential energy, bypassing the need for a preconceived notion of interaction representations. Their accuracy depends on the machine learning models used, and the quality and volume of training data sets. With recent advances in equivariant neural networks and high‐quality datasets, MLFFs have significantly improved their performance. This review explores MLFFs, emphasizing their potential in drug design. It elucidates MLFF principles, provides development and validation guidelines, and highlights successful MLFF implementations. It also addresses potential challenges in developing and applying MLFFs. The review concludes by illuminating the path ahead for MLFFs, outlining the challenges to be overcome and the opportunities to be harnessed. This inspires researchers to embrace MLFFs in their investigations as a new tool to perform molecular simulations in drug design.
Developing a compact coal quality rapid detection integrated machine based on laser‐induced breakdown spectroscopy
Authors: Lu Weiye , Yang Qi , Yu Ziyu , Zou Xiangbo , Qin Huaiqing , Chen Gongda , Ma Weizhe , Zhuo Junling , Chen Chuangting , Chen Xiaoxuan , Yao Shunchun , Lu Jidong 
Published: January 2024

AbstractCoal's calorific value and carbon content are crucial in calculating carbon emissions. Accurately detecting these two indicators is of great significance for carbon accounting. In this study, we developed a compact coal quality rapid detection integrated machine based on laser‐induced breakdown spectroscopy (LIBS), which can directly measure coal particle flow. A partial least squares model, based on data set selection according to cluster analysis results, was applied to establish the relationship between coal quality and plasma spectra. The R2 of the calorific value is .93, the root mean square error of prediction (RMSEP) is 0.41 MJ/kg, and the mean absolute error (MAE) is 0.33 MJ/kg. The R2 of carbon content is .94, the RMSEP is 0.97%, and the MAE is 0.91%. These results indicated that the developed compact coal quality rapid detection integrated machine could conduct precise coal quality analysis in real time.
Broadband CMOS unidirectional coupler using differential mode suppression
Authors: Tirmanwar Shubham , Ghosh Debapratim 
Published: January 2024

AbstractThis paper describes the design of a broadband, unidirectional coupler designed using complementary metal oxide semiconductor technology. The proposed coupler achieves high isolation by using a differential mode suppressor, employing a differential splitter, followed by a common mode combiner. An intermediary network is used to match all stages to the ports. The coupler, fabricated using United Microelectronics Corporation 180 nm RF/MM technology, achieves better than 15 dB isolation from 0.2 to 1.5 GHz. For this band, it achieves a near flat coupling of 5 dB. The net coupler area is  mm2. Such broadband unidirectional couplers can be used in network analyzer testsets.
Prospective motion correction for brain MRI using spherical navigators
Authors: Hewlett Miriam , Oran Omer , Liu Junmin , Drangova Maria 
Published: January 2024

AbstractPurposeTo demonstrate for the first time the feasibility of performing prospective motion correction using spherical navigators (SNAVs).MethodsSNAVs were interleaved in a 3D FLASH sequence with an additional short baseline scan (6.8 s) for fast rotation estimation. Assessment of SNAV‐based prospective motion correction was performed in six volunteers. Participant motion was guided using randomly generated stepwise prompts as well as prompts derived from real motion cases. Experiments were performed on a 3 T MRI scanner using a 32‐channel head coil.ResultsWhen optimized for real‐time application, SNAV‐based motion estimates were computed in 25.8 ± 1.3 ms. Phantom‐based quantification of rotation and translation accuracy indicated mean absolute errors of 0.10 ± 0.09° and 0.25 ± 0.14 mm, respectively. Implementing SNAV‐based motion estimates for prospective motion correction led to a clear improvement in image quality with minimal increase in scan time (<5%).ConclusionOptimization of SNAV processing for real‐time application enables prospective motion correction with low latency and minimal scan time requirements.
Optimizing background suppression for dual‐module velocity‐selective arterial spin labeling: Without using additional background‐suppression pulses
Authors: Guo Jia 
Published: January 2024

AbstractPurposeBackground suppression (BS) is recommended in arterial spin labeling (ASL) for improved SNR but is difficult to optimize in existing velocity‐selective ASL (VSASL) methods. Dual‐module VSASL (dm‐VSASL) enables delay‐insensitive, robust, and SNR‐efficient perfusion imaging, while allowing efficient BS, but its optimization has yet to be thoroughly investigated.MethodsThe inversion effects of the velocity‐selective labeling pulses, such as velocity‐selective inversion (VSI), can be used for BS, and were modeled for optimizing BS in dm‐VSASL. In vivo experiments using dual‐module VSI (dm‐VSI) were performed to compare two BS strategies: a conventional one with additional BS pulses and a new one without any BS pulse. Their BS performance, temporal noise, and temporal SNR were examined and compared, with pulsed and pseudo‐continuous ASL (PASL and PCASL) as the reference.ResultsThe in vivo experiments validated the BS modeling. Strong positive linear correlations (r > 0.82, p < 0.0001) between the temporal noise and the tissue signal were found in PASL/PCASL and dm‐VSI. Optimal BS can be achieved with and without additional BS pulses in dm‐VSI; the latter improved the ASL signals by 8.5% in gray matter (p = 0.006) and 12.2% in white matter (p = 0.014) and tended to provide better temporal SNR. The dm‐VSI measured significantly higher ASL signal (p < 0.016) and temporal SNR (p < 0.018) than PASL and PCASL. Complex reconstruction was found necessary with aggressive BS.ConclusionGuided by modeling, optimal BS can be achieved without any BS pulse in dm‐VSASL, further improving the ASL signal and the SNR performance.
Diagnosis and treatment of hereditary transthyretin amyloidosis with polyneuropathy in the United States: Recommendations from a panel of experts
Authors: Karam Chafic , Mauermann Michelle L. , Gonzalez‐Duarte Alejandra , Kaku Michelle C. , Ajroud‐Driss Senda , Brannagan Thomas H. , Polydefkis Michael 
Published: January 2024

AbstractHereditary transthyretin (ATTRv; v for variant) amyloidosis is a rare, multisystem, progressive, and fatal disease in which polyneuropathy is a cardinal manifestation. Due to a lack of United States (US)‐specific guidance on ATTRv amyloidosis with polyneuropathy, a panel of US‐based expert clinicians convened to address identification, monitoring, and treatment of this disease. ATTRv amyloidosis with polyneuropathy should be suspected in unexplained progressive neuropathy, especially if associated with systemic symptoms or family history. The diagnosis is confirmed through genetic testing, biopsy, or cardiac technetium‐based scintigraphy. Treatment should be initiated as soon as possible after diagnosis, with gene‐silencing therapeutics recommended as a first‐line option. Consensus is lacking on what represents “disease progression” during treatment; however, the aggressive natural history of this disease should be considered when evaluating the effectiveness of any therapy.
Sharing or reselling? How does manufacturer handle used products?
Authors: Wang Mengnan , Zhang Juliang , Cheng T. C. E. 
Published: January 2024

AbstractTo encourage consumers to reuse their used products, some manufacturers launch second‐hand platforms while others adopt sharing platforms. Which platform benefits them more is an interesting problem for such manufacturers. To address this problem, we propose a two‐period model in which heterogeneous consumers decide whether to buy new products in Period 1 or to rent (buy) used products on the platform in Period 2. Under a proportional transaction fee, we show that the two platforms can benefit the manufacturer if the unit production cost is high, and the valuation difference is low or the number of high‐value consumers in Period 1 is fewer than in Period 2. Moreover, the two platforms are equivalent when the salvage value is 0. When the salvage value is positive, the second‐hand platform benefits the manufacturer more than the sharing platform. The sharing platform induces the manufacturer to set a higher sale price than the second‐hand platform when the unit production cost is high and there are fewer high‐value consumers in Period 1. Otherwise, the sale and reselling prices are higher under the second‐hand platform. We also consider the cases with a general consumer valuation distribution, multiple product life cycles, and a fixed transaction fee. Our findings can help manufacturers make the decision on platform choice to handle used products.
Reauditing and dual sourcing? Implication of collusion deterrence measures in ethical sourcing
Authors: Zhou Jiahui , Yao Shiqing , Zhu Kaijie 
Published: January 2024

AbstractWe consider a supply chain in which a buyer sources from a supplier for the production of a product. The supplier's production process is subject to probable violations of either government regulations or ethical requirements. The sourcing contract offered by the buyer demands that the supplier exerts an effort to improve its production process, thus reducing the probability of the occurrence of supplier violation. Because the supplier's effort is hardly observable, the buyer has to send an auditor to perform an audit of the supplier's facility. The auditor in turn reports whether the supplier has exerted the effort or not. If the supplier fails to pass the audit, she may offer a side contract to the auditor, thus engaging in a supplier‐auditor collusion. We study how such supplier–auditor collusion may affect the buyer's outsourcing strategy. We find that the buyer should reduce the order quantity to deter the supplier–auditor collusion when the collusion penalty is relatively low. We further examine reaudit and dual sourcing, two mechanisms which could probably prevent supplier–auditor collusion. We find that a reaudit may complement the collusion penalty under certain conditions; using dual sourcing to deter collusion is viable only if supplier‐improvement techniques or procedures are effective. Finally, we extend our model by considering false positive audit error and linear penalty function. Our analytical and numerical results show that our insights are robust.
Thermoresponsive hollow polymeric shell nano/microparticles with interconnected nanoholes
Authors: Park Soo‐Yong , Jeon Chaeyoung , Song Gyeongju , Choi Kyung‐Man , Seo Bongkuk , Chung Ildoo 
Published: January 2024

AbstractPNIPAAm‐grafted thermoresponsive hollow nano‐holed polymeric‐shell (HHPS) particles were fabricated from surface‐modified colloidal silica (CS) with poly(ethylene glycol) methyl ether‐3‐(triethoxysilyl)propyl isocyanate (PEGME‐IPTES) and 3‐(trimethoxysilyl) propyl methacrylate (MPS) as templates. The polymeric shells were then synthesized through a “grafting‐through” approach via surface‐initiated polymerization of N‐isopropyl acrylamide (PNIPAAm) using potassium persulfate (KPS) as an initiator, followed by the etching of CS with hydrofluoric acid to remove the CS core templates. CS nanoparticles and PEGME‐IPTES were presynthesized using tetraethoxysilane (TEOS) and distilled water in methanol with ammonia solution as a catalyst by the sol–gel method and using 3‐(triethoxysilyl) propyl isocyanate (IPTES) with poly(ethylene glycol) methyl ether (PEGME) in the presence of dibutyltin dilaurate. The chemical structures of bare and modified CS, PNIPAAm, PNIPAAm‐CS, and HHPS particles were characterized by FT‐IR and NMR spectroscopies. SEM and TEM images confirmed that the resulting HHPS particles had a significant number of interconnected nanoholes. To evaluate the LCST behaviors of HHPS particles, the transition of transmittance and the changes in particle diameter according to the temperature change were measured through UV‐vis spectroscopy, DLS, and microscopy.
Biodegradable compatibilizer modified corn stover/poly(butylene adipate‐co‐terephthalate) composites
Authors: Xu Zhou , Qiao Xiuying , Sun Kang , Chen Yujie , Liu Hezhou 
Published: January 2024

AbstractGreat environmental and economic benefits can be achieved by utilizing the agricultural residue corn stover (CS) to prepare the biodegradable poly(butylene adipate‐co‐terephthalate) (PBAT) composites. However, CS contains polarized hydroxyl groups from its main component cellulose, thus leading to its poor wetting by hydrophobic PBAT. It is of great significance to promote the compatibility between CS and PBAT for the improvement of interfacial interactions and composite performance, but the compatibilizer modified CS/PBAT biocomposites have been rarely mentioned until now. In this study, polyethylene glycol (PEG), glycidyl methacylate (GMA), and ethylene vinyl alcohol copolymer (EVOH) were chosen to investigate the compatibilizer effect on the morphology, microstructure, thermal properties, mechanical strength, and water absorption capacity of the biodegradable CS/PBAT composites. The results reveal that the incorporated compatibilizers obviously improve the interface adhesion between CS and PBAT by reducing the hydrophilicity of CS surface. The enhanced interfacial bonding interactions effectively promote the crystallinity and mechanical strength of the CS/PBAT composites, but the initial degradation temperature and hydrophilicity of compatibilizers themselves also remarkably influence the composites’ thermostability and water absorption.Highlights
The agricultural residue corn stover (CS) was used to reinforce PBAT.
Effects of three different compatibilizers on the composites were studied.
Compatibilizer improves the interface adhesion between CS and PBAT.
Compatibilizer promotes crystallinity and mechanical strength of composites.
The stability and hydrophilicity of compatibilizer affect those of composite.
Improving the ablative performance of epoxy‐modified vinyl silicone rubber composites by incorporating different types of reinforcing fibers
Authors: Zhang Hao , Huang Mingyan , Xing Yikai , Tian Jinfeng , Liang Mei , Zhou Shengtai , Zou Huawei 
Published: January 2024

AbstractIn this study, ablative resistance of single fiber‐ and hybrid fiber‐reinforced epoxy‐modified vinyl silicone rubber (EMVSR) composites was systematically studied. Three types of fibers, namely aramid fiber (AF), basalt fiber (BF), and carbon fiber (CF), were employed as the reinforcements. The results indicated that the incorporation of fiber reinforcements effectively suppressed the expansion and strengthened the char layer. Besides, the quality of char layer was quite different when different types of fibers were used. The char layer of AF‐modified samples had more surface defects, BF‐modified samples were brittle, and CF‐filled samples were dense and flat. The use of hybrid AF/BF fibers improved the ablation and anti‐erosion performance of EMVSR. Meanwhile, the thermal insulation performance was enhanced because the back‐face temperature was the lowest with the addition of 1 phr AF and 5 phr CF. The above results indicated that the ablation and anti‐erosion resistance and the quality of char layer as well as the thermal insulation behavior of EMVSR were significantly improved by incorporating fibrillar fillers, which demonstrate practical applications as flexible anti‐ablation materials for thermal protection systems.Highlights
Epoxy‐modified vinyl silicone rubber was used for preparing ablative composites.
The effect of adding different fibers on the ablation properties was studied.
The presence of single fibers improved the strength of char layer.
The use of hybrid fibers was found effective in enhancing the ablative properties.
The intrinsic property and entanglement of fibers affected the ablative properties.
Assessment of tensile damage mechanism of open‐hole GLARE laminates based on acoustic emission and digital image correlation techniques
Authors: Hu Kejun , Zheng Yingxiao , Zhu Jixin , Shi Qinghe , Duan Liuyang , Han Wenqin 
Published: January 2024

AbstractGLARE laminates have emerged as a favored option for the construction of fuselage and wing skins in large airliners, owing to their exceptional mechanical characteristics. Nevertheless, the incorporation of open‐hole designs poses a challenge as it disrupts the continuity of the laminates, resulting in stress concentration and subsequent damage. To investigate the impact of various layup orientations and hole sizes on the tensile properties of open‐hole GLARE laminates, this study conducted axial tensile tests. Additionally, the tensile damage process was monitored using DIC and AE techniques, enabling the identification of damage patterns and the analysis of their evolution. The results demonstrate a noteworthy decline in the ultimate strength and failure strain as the size of the opening increases. Moreover, the retention rate of failure strain displays a marked sensitivity to the layup orientation. In conjunction with observations made through DIC and SEM, the k‐means++ algorithm successfully clustered peak frequencies, thereby revealing distinct damage patterns and their corresponding frequency ranges as aluminum alloy damage [0–90 kHz], matrix cracking [104–174 kHz], fiber/matrix debonding [175–224 kHz], interlaminar delamination [234–300 kHz], and fiber fracture [304–469 kHz]. AE cumulative counts were utilized to evaluate the progression of individual damage modes. The results emphasize that matrix cracking demonstrates the most substantial cumulative counts, whereas damage to the fibers and aluminum alloy noticeably affects the load‐carrying capability of the laminate. Furthermore, the fibers/matrix debonding and interlaminar delamination, exhibit heightened susceptibility to layup orientation and hole size.Highlights
The tensile performance evaluation of GLARE laminates with open‐hole varying layup orientations and hole sizes was investigated.
A combination of DIC and AE techniques was used to monitor the tensile damage process.
Damage pattern was identified based on the observations of DIC and SEM.
An approach based on Pearson's correlation coefficient and k‐means++ clustering algorithm was used for damage pattern recognition in GLARE laminates.
AE cumulative counts were employed to assess the evolution of each damage mode.
Chitin‐binding peptides from Capsicum annuum with antifungal activity and low toxicity to mammalian cells and Galleria mellonella larvae
Authors: Gonçalves Gabriella Rodrigues , Silva Marciele Souza , dos Santos Layrana Azevedo , Resende Larissa Maximiniano , Taveira Gabriel Bonan , Guimarães Thomas Zacarone Afonso , Ferreira Sarah Rodrigues , Oliveira Antonia Elenir Amancio , Nagano Celso Shiniti , Chaves Renata Pinheiro , de Oliveira Carvalho André , Rodrigues Rosana , da Motta Olney Vieira , Gomes Valdirene Moreira 
Published: January 2024

AbstractIn recent years, there have been several reports of the presence of toxic proteins in cultivated or wild plant species, which are implicated in plant defense mechanisms. The existence of these proteins raises the possibility of biotechnological applications originating from the development of new techniques to combat diseases caused by fungi. In this context, there are chitin‐binding proteins. Chitin is an essential component of the fungal cell wall, so chitin‐binding proteins are important in controlling fungal growth. Thus, the objective of this study was to characterize and evaluate the in vitro antimicrobial effect of peptides with chitin binding properties isolated from Capsicum annuum seeds on the growth of the genus Candida. Initially, proteins were extracted in phosphate pH 5.4, and a chitin column was equilibrated with sodium acetate (0.08 M, pH 4.5), where 50 mg of the peptide‐rich heated fraction from each species was applied. Subsequently, the retained material was eluted with 0.1 M HCl. Tricine SDS–PAGE was used to visualize the peptides. After chromatography, two fractions, F1 (not retained in the chitin column) and F2 (retained in the chitin column, named Ca‐F2), were obtained. Electrophoresis showed major protein bands between 3 and 14 kDa. Electrophoresis from chitin affinity chromatography also showed major bands between 3 and 14 kDa, especially for Ca‐F2 retained in the column. One peptide obtained from the F2 fraction was identified by mass spectrometry and showed similarity to seed 2S albumin, named Ca‐Alb2S. Ca‐F2 inhibited the growth of C. albicans and C. tropicalis, was not toxic to mammalian cells and still had a high survival rate when tested in vivo on Galleria mellonella larvae. This is the first report of chitin‐binding peptides isolated from Capsicum seeds through an affinity column and their biological activities. These studies are at an early stage; therefore, other tests are needed to study the mechanism of action of the fraction, since the findings indicate great potential for the development of new antifungal molecules.