bluuebunny/crossref_metadata_2025_split huggingface dataset:
Process analytical technology as key‐enabler for digital twins in continuous biomanufacturing
Authors: Schmidt Axel , Helgers Heribert , Lohmann Lara Julia , Vetter Florian , Juckers Alex , Mouellef Mourad , Zobel‐Roos Steffen , Strube Jochen 
Published: December 2021

AbstractOver the last few years rapid progress has been made in adopting well‐known process modeling techniques from chemicals to biologics manufacturing. The main challenge has been analytical methods as engineers need quantitative data for their workflow. Industrialization 4.0, Internet of Things, artificial intelligence and machine learning activities up to big data analysis have taken their share in solving fundamental problems like component‐ or at least group‐specific evaluation of spectroscopic data. Besides, concerning inline analytics methods included in process analytical technology concepts the key technology has been the generation of decisive validated digital twins based on process models. This review aims to summarize the methodology to achieve a holistic understanding of process models, control and optimization by means of digital twins using the example of recent work published in this field. © 2021 The Authors. Journal of Chemical Technology and Biotechnology published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry (SCI).
The interface region between articular cartilage and bone by μMRI and PLM at microscopic resolutions
Authors: Badar Farid , Xia Yang 
Published: December 2021

AbstractThis dual‐modality microscopic imaging study quantifies the interface region between the noncalcified cartilage and the subchondral bone plate, which includes the deep portion of the noncalcified articular cartilage and the zone of calcified cartilage (ZCC). This interface region is typically not visible in routine MRI but becomes visible in MRI with the application of an ultra‐short echo time (UTE) sequence. A number of cartilage‐bone blocks from a well‐documented canine humeral head were harvested for imaging by microscopic MRI (μMRI) and PLM (polarized light microscopy). In μMRI, T2 anisotropic images were acquired by 2D gradient‐echo, magnetization‐prepared spin‐echo and UTE sequences at the 0° and 55° (the magic angle) orientations at 11.7 μm/pixel resolution. In PLM, quantitative optical retardation (nm) and collagen orientation (°) were mapped from the thin sections from the same μMRI specimens at 0.5–2 μm pixel resolutions. The orientational and organizational architecture of the collagen matrix in this interface region was quantified and correlated between the complementary imaging. The magic angle effect as seen in the noncalcified cartilage was statistically confirmed in ZCC in μMRI, which was further supported by quantitative PLM. With an enhanced understanding of the tissue properties in this important interface region, it will potentially be possible to monitor the changes of this tissue region which is instrumental to the initiation and development of osteoarthritis and other joint diseases.
Secretion of pro‐angiogenic extracellular vesicles during hypoxia is dependent on the autophagy‐related protein GABARAPL1
Authors: Keulers Tom G. , Libregts Sten F. , Beaumont Joel E.J. , Savelkouls Kim G. , Bussink Johan , Duimel Hans , Dubois Ludwig , Zonneveld Marijke I. , López‐Iglesias Carmen , Bezstarosti Karel , Demmers Jeroen A. , Vooijs Marc , Wauben Marca , Rouschop Kasper M.A. 
Published: December 2021

AbstractTumour hypoxia is a hallmark of solid tumours and contributes to tumour progression, metastasis development and therapy resistance. In response to hypoxia, tumour cells secrete pro‐angiogenic factors to induce blood vessel formation and restore oxygen supply to hypoxic regions. Extracellular vesicles (EVs) are emerging as mediators of intercellular communication in the tumour microenvironment. Here we demonstrate that increased expression of the LC3/GABARAP protein family member GABARAPL1, is required for endosomal maturation, sorting of cargo to endosomes and the secretion of EVs. Silencing GABARAPL1 results in a block in the early endosomal pathway and impaired secretion of EVs with pro‐angiogenic properties. Tumour xenografts of doxycycline inducible GABARAPL1 knockdown cells display impaired vascularisation that results in decreased tumour growth, elevated tumour necrosis and increased therapy efficacy. Moreover, our data show that GABARAPL1 is expressed on the EV surface and targeting GABARAPL1+EVs with GABARAPL1 targeting antibodies results in blockade of pro‐angiogenic effects in vitro. In summary, we reveal that GABARAPL1 is required for EV cargo loading and secretion. GABARAPL1+EVs are detectable and targetable and are therefore interesting to pursue as a therapeutic target.
Safety and early efficacy of endoscopic sleeve gastroplasty (ESG) for obesity in a multi‐ethnic Asian population in Singapore
Authors: Asokkumar Ravishankar , Lim Chin Hong , Tan Ai Shan , Lee Phong Ching , Eng Alvin , Tan Jeremy , Lopez‐Nava Gontrand , Ganguly Sonali , Chang Jason , Khor Christopher 
Published: December 2021

AbstractBackground and AimEndoscopic sleeve gastroplasty (ESG) is an alternative nonsurgical treatment option for obesity. However, most studies on the utility and efficacy of ESG are derived from the Western population. It is unknown if ESG elicits similar results in Asians with different fat distribution, sociocultural customs, and dietary practices. Our study aims to assess the safety and efficacy of ESG among a multi‐ethnic Asian population.MethodsWe reviewed 35 patient records who underwent primary ESG for obesity at our unit. We followed a U‐shaped suture pattern. Our primary outcome was to assess technical feasibility and safety. The secondary outcome was to determine the percentage total body weight loss (TBWL) at the last follow‐up.ResultsThe mean ± SD age and body mass index were 43.6 ± 11.3 years and 34 ± 4.9 kg/m2, respectively. The majority were female (57%) and of Chinese ethnicity (51%). The procedure was technically successful in all patients. We used an average of five sutures (range, 4–7), and the mean ± SD procedure time was 65 ± 10 min. No major complications occurred, and the average length of stay was 1 day. Twenty‐one patients completed 3 months of follow‐up, and 10 patients 6 months. The mean ± SD TBWL at 3 and 6 months were 14.5 ± 4.8% and 16.2 ± 4.9%, respectively. We observed improvement in diabetes mellitus (87%), fatty liver (86%), and hypertension (58%) during the follow‐up.ConclusionESG is a safe and effective option for promoting weight loss in a multi‐ethnic Asian population. ESG‐induced weight loss may improve obesity‐related comorbidities.
Post‐endoscopic retrograde cholangiopancreatography pancreatitis assessed using criteria for acute pancreatitis
Authors: Suzuki Azumi , Uno Koji , Nakase Kojiro , Mandai Koichiro , Endoh Bunji , Chikugo Koki , Kawakami Takumi , Suzuki Takahiro , Nakai Yoshitaka , Kusumoto Kiyonori , Itokawa Yoshio , Inatomi Osamu , Bamba Shigeki , Mizumoto Yoshinori , Tanaka Kiyohito 
Published: December 2021

AbstractBackground and AimInternational consensus on the definition and classification of post‐endoscopic retrograde cholangiopancreatography (ERCP) pancreatitis (PEP) has been reached. However, the diagnosis and severity of PEP are often assessed according to the diagnostic criteria and classification for acute pancreatitis (AP). This study determined the incidence, severity, and risk factors of PEP diagnosed according to the diagnostic criteria and classification for AP in a large cohort.MethodsThis prospective, multicenter, observational cohort study conducted at five high‐volume centers included 1932 patients who underwent ERCP‐related procedures. The incidence, severity, and risk factors for PEP were evaluated.ResultsPEP occurred in 142 patients (7.3%); it was mild in 117 patients (6.0%) and severe in 25 patients (1.3%). According to the Cotton criteria, PEP occurred in 87 patients (4.5%); it was mild in 54 patients (2.8%), moderate in 20 patients (1.0%), and severe in 13 patients (0.7%). In the multivariate analysis, female sex (odds ratio [OR] 2.239; 95% confidence interval [CI] 1.546–3.243), naïve papilla (OR 3.047; 95% CI 1.803–5.150), surgically‐altered gastrointestinal anatomy (OR 2.538; 95% CI 1.342–4.802), procedure time after reaching the papilla (OR 1.009; 95% CI 1.001–1.017), pancreatic duct injection (OR 2.396; 95% CI 1.565–3.669), and intraductal ultrasonography (OR 1.641; 95% CI 1.024–2.629) were independent risk factors.ConclusionAccording to the diagnostic criteria and classification for AP, the incidence of PEP was higher than that according to the Cotton criteria and the severity of PEP tended to be severe.
Flexible circuits in the d‐dimensional rigidity matroid
Authors: Grasegger Georg , Guler Hakan , Jackson Bill , Nixon Anthony 
Published: December 2021

AbstractA bar‐joint framework in is rigid if the only edge‐length preserving continuous motions of the vertices arise from isometries of . It is known that, when is generic, its rigidity depends only on the underlying graph , and is determined by the rank of the edge set of in the generic ‐dimensional rigidity matroid . Complete combinatorial descriptions of the rank function of this matroid are known when , and imply that all circuits in are generically rigid in when . Determining the rank function of is a long standing open problem when , and the existence of nonrigid circuits in for is a major contributing factor to why this problem is so difficult. We begin a study of nonrigid circuits by characterising the nonrigid circuits in which have at most vertices.
Iron, neuro‐bioavailability and depression
Authors: Berthou Christian , Iliou Jean Paul , Barba Denis 
Published: December 2021

AbstractMedical management of iron deficiency (ID) requires to consider its consequences in biochemical and physiological plural functions, beyond heme/hemoglobin disrupted synthesis. Fatigue, muscle weakness, reduced exercise capacity, changes in thymia and modified emotional behaviors are the commonest symptoms integrated in the history of ID, dependent or not of the hemoglobin concentration. The relationship between depression and absolute ID (AID) is a condition which is often unrecognized. Neuro‐bioavailability and brain capture of blood iron are necessary for an appropriate synthesis of neurotransmitters (serotonin, dopamine, noradrenaline). These neurotransmitters, involved in emotional behaviors, depend on neuron aromatic hydoxylases functioning with iron as essential cofactor. Noradrenaline also has impact on neuroplasticity via brain‐derived neurotrophic factor (BDNF), which is key for prefrontal and hippocampus neurons playing a role in depression. Establishing the formal relationship between depression and AID remains difficult. Intracerebral reduced iron is still hard to quantify by neuroimaging and single‐photon emission computed tomography (SPECT) now tends to explore the neurotransmission pathways. AID has to be looked for and identified in the context of depression, major episode or resistant to conventional treatment such as serotonin reuptake inhibitor, and even in the absence of anemia, microcytosis or hypochromia (non‐anemic ID). Confronted to brain imaging, blood iron status evaluation is indicated, especially in depressed, treatment‐resistant, iron‐deficient young women. In patients suffering from depression, increase in the prevalence of AID should be considered, in order to deliver a suitable treatment, considering both anti‐depressive program and iron supplementation if AID.
Design, synthesis, and insecticidal evaluation of novel anthranilic diamides of N‐pyridylpyrazole derivatives containing 3‐thioethers
Authors: Sun Pengwei , Zhang Ze , Li Linshan , Wang Xinyao , Xiong Lixia , Yang Na , Li Yuxin , Li Zhengming 
Published: December 2021

AbstractThioether and its derivatives are important active pharmacophores, widely adopted in the molecular design of agrochemicals. The introduction of thioether into drug intermediate is important to improve the liposolubility, hydrophobicity, and bioactivity of molecules. For development of novel insecticides targeting at ryanodine receptor (RyR), a series of anthranilic diamides of N‐pyridylpyrazole derivatives containing 3‐thioether were designed and synthesized. The structures of these compounds were verified using 1H NMR, 13C NMR, and HRMS. Their insecticidal activities against Mythimna separata (M. separata, oriental armyworms) and Plutella xylostella (P. xylostella, diamondback moths) were evaluated and the preliminary structure–activity relationship (SAR) was discussed, among which 9f, 9g exhibited favorable insecticidal activities against M. separata at 5 mg/L (9f, 50%; 9g, 40%). In addition, insecticidal activity of the intermediate 8 indicated that bromomethyl group at 3‐position of pyrazole moiety has an important impact for retaining insecticidal activity. Calcium imaging experiment and molecular docking were carried out to elaborate insecticidal mechanism from the perspective of experiment and molecular simulation, respectively.
Lung Ultrasound in COVID‐19 and Post‐COVID‐19 Patients, an Evidence‐Based Approach
Authors: Demi Libertario , Mento Federico , Di Sabatino Antonio , Fiengo Anna , Sabatini Umberto , Macioce Veronica Narvena , Robol Marco , Tursi Francesco , Sofia Carmelo , Di Cienzo Chiara , Smargiassi Andrea , Inchingolo Riccardo , Perrone Tiziano 
Published: December 2021

ObjectivesWorldwide, lung ultrasound (LUS) was utilized to assess coronavirus disease 2019 (COVID‐19) patients. Often, imaging protocols were however defined arbitrarily and not following an evidence‐based approach. Moreover, extensive studies on LUS in post‐COVID‐19 patients are currently lacking. This study analyses the impact of different LUS imaging protocols on the evaluation of COVID‐19 and post‐COVID‐19 LUS data.MethodsLUS data from 220 patients were collected, 100 COVID‐19 positive and 120 post‐COVID‐19. A validated and standardized imaging protocol based on 14 scanning areas and a 4‐level scoring system was implemented. We utilized this dataset to compare the capability of 5 imaging protocols, respectively based on 4, 8, 10, 12, and 14 scanning areas, to intercept the most important LUS findings. This to evaluate the optimal trade‐off between a time‐efficient imaging protocol and an accurate LUS examination. We also performed a longitudinal study, aimed at investigating how to eventually simplify the protocol during follow‐up. Additionally, we present results on the agreement between AI models and LUS experts with respect to LUS data evaluation.ResultsA 12‐areas protocol emerges as the optimal trade‐off, for both COVID‐19 and post‐COVID‐19 patients. For what concerns follow‐up studies, it appears not to be possible to reduce the number of scanning areas. Finally, COVID‐19 and post‐COVID‐19 LUS data seem to show differences capable to confuse AI models that were not trained on post‐COVID‐19 data, supporting the hypothesis of the existence of LUS patterns specific to post‐COVID‐19 patients.ConclusionsA 12‐areas acquisition protocol is recommended for both COVID‐19 and post‐COVID‐19 patients, also during follow‐up.
Academic journals' usernames and the threat of fraudulent accounts on social media
Authors: Coates Adam 
Published: December 2021

AbstractThe internet has brought both benefits and risks for academia. Predatory publishing and conferences are well‐known, and less common academic cybercrime has also been identified, such as fraudulent conferences and journal hijacking. This study aimed to explore one further possible method for deceiving academics, namely, fraudulent accounts on social media. The study focused on two easily exploitable gaps in journals' social media engagement: whether journals have accounts on the most common social media platforms and whether journals use the same username across all their accounts. Evidence of fraudulent social media accounts was also sought. Drawing from a sample of 50 journals, the results indicate that many journals do not use social media, journals often use multiple usernames and fewer than half the accounts were officially verified. Some apparently fraudulent activity was found, but this was notably limited in scope and appeared to be politically rather than economically oriented. Further potential for deception was evident in accounts unaffiliated with a journal but registered with the journal's usernames and in the opportunity to create new social media accounts with journals' usernames. Journals are recommended to recognize this threat and some possible countermeasures are suggested.
Synthesis and Incorporation of Quaternary Ammonium Silane Antimicrobial into Self‐Crosslinked Type I Collagen Scaffold: A Hybrid Formulation for 3D Printing
Authors: Bapat Ranjeet Ajit , Muthusamy Senthil Kumar , Sidhu Preena , Mak Kit‐Kay , Parolia Abhishek , Pichika Mallikarjuna Rao , Seow Liang Lin , Tong Cao , Daood Umer 
Published: December 2021

AbstractNovel 3D‐biomaterial scaffold is constructed having a combination of a new quaternary ammonium silane (k21) antimicrobial impregnated in 3D collagen printed scaffolds cross linked with Riboflavin in presence of d‐alpha‐tocopheryl poly(ethyleneglycol)‐1000‐succinate. Groups of “0.1% and 0.2% k21”, and “0.1% and 0.2% Chlorhexidine (CHX)” are prepared. k21/CHX with neutralized collagen is printed with BioX. Riboflavin is photo‐activated and examined using epifluorescence for Aggregatibacter actinomycetemcomitans (7‐days). Collagen is examined using TEM and measured for porosity, and shape‐fitting. Raman and tandem mass/solid‐state are performed with molecular‐docking and circular‐dichroism. X‐ray diffractions, rheological tests, contact angle, and ninhydrin assay are conducted. k21 samples demonstrated collagen aggregates while 0.1% CHX and 0.2% CHX showed irregularities. Porosity of control and “0.1% and 0.2% k21” scaffolds show no differences. Low contact angle, improved elastic‐modulus, rigidity, and smaller strain in k21 groups are seen. Bacteria are reduced and strong organic intensities are seen in k21 scaffolds. Simulation shows hydrophobicity/electrostatic interaction. Crosslinking is observed in 0.2% CHX/79% and 0.2% k21/80%. Circular dichroism for k21 are suggestive of triple helix. XRD patterns appear at d = 5.97, 3.03, 2.78, 2.1, and 2.90 A°. 3D‐printing of collagen impregnated with quaternary ammonium silane produces a promising scaffold with antimicrobial potency and structural stability.
Pitting behavior of the AA6061 alloy and Al5N in a diluted chloride solution
Authors: Linardi Evelina , Lanzani Liliana 
Published: December 2021

AbstractThe effect of aeration on the pitting potential (Ep) of the AA6061 alloy and high‐purity aluminum (Al5N) is studied in diluted chloride solutions. The Ep values are determined by a potentiodynamic scan in aerated and de‐aerated solutions of 10−3 M NaCl and 10−3 M NaCl + 0.05 M KH2PO4/K2HPO4 buffer. Applying the hypothesis testing procedure, it is concluded that the presence of oxygen in a 10−3 M NaCl solution decreases the Ep for AA6061 by 100 mV and does not affect the Ep for Al5N. This decrease is related to the alloy dissolution around the iron‐rich particles and is analyzed in terms of the model of localized acidification.
Collision energies: Optimization strategies for bottom‐up proteomics
Authors: Révész Ágnes , Hevér Helga , Steckel Arnold , Schlosser Gitta , Szabó Dániel , Vékey Károly , Drahos László 
Published: December 2021

AbstractMass‐spectrometry coupled to liquid chromatography is an indispensable tool in the field of proteomics. In the last decades, more and more complex and diverse biochemical and biomedical questions have arisen. Problems to be solved involve protein identification, quantitative analysis, screening of low abundance modifications, handling matrix effect, and concentrations differing by orders of magnitude. This led the development of more tailored protocols and problem centered proteomics workflows, including advanced choice of experimental parameters. In the most widespread bottom‐up approach, the choice of collision energy in tandem mass spectrometric experiments has outstanding role. This review presents the collision energy optimization strategies in the field of proteomics which can help fully exploit the potential of MS based proteomics techniques. A systematic collection of use case studies is then presented to serve as a starting point for related further scientific work. Finally, this article discusses the issue of comparing results from different studies or obtained on different instruments, and it gives some hints on methodology transfer between laboratories based on measurement of reference species.
Genetic algorithm‐based optimization of pulse sequences
Authors: Somai Vencel , Kreis Felix , Gaunt Adam , Tsyben Anastasia , Chia Ming Li , Hesse Friederike , Wright Alan J. , Brindle Kevin M. 
Published: December 2021

PurposeThe performance of pulse sequences in vivo can be limited by fast relaxation rates, magnetic field inhomogeneity, and nonuniform spin excitation. We describe here a method for pulse sequence optimization that uses a stochastic numerical solver that in principle is capable of finding a global optimum. The method provides a simple framework for incorporating any constraint and implementing arbitrarily complex cost functions. Efficient methods for simulating spin dynamics and incorporating frequency selectivity are also described.MethodsOptimized pulse sequences for polarization transfer between protons and X‐nuclei and excitation pulses that eliminate J‐coupling modulation were evaluated experimentally using a surface coil on phantoms, and also the detection of hyperpolarized [2‐13C]lactate in vivo in the case of J‐coupling modulation‐free excitation.ResultsThe optimized polarization transfer pulses improved the SNR by ~50% with a more than twofold reduction in the B1 field, and J‐coupling modulation‐free excitation was achieved with a more than threefold reduction in pulse length.ConclusionThis process could be used to optimize any pulse when there is a need to improve the uniformity and frequency selectivity of excitation as well as to design new pulses to steer the spin system to any desired achievable state.
On the compact difference scheme for the two‐dimensional coupled nonlinear Schrödinger equations
Authors: Rahmeni Mohamed , Omrani Khaled 
Published: December 2021

AbstractA high‐order finite difference method for the two‐dimensional coupled nonlinear Schrödinger equations is considered. The proposed scheme is proved to preserve the total mass and energy in a discrete sense and the solvability of the scheme is shown by using a fixed point theorem. By converting the scheme in the point‐wise form into a matrix–vector form, we use the standard energy method to establish the optimal error estimate of the proposed scheme in the discrete L2‐norm. The convergence order is proved to be of a fourth‐order in space and a second‐order in time, respectively. Finally, some numerical examples are given in order to confirm our theoretical results for the numerical method. The numerical results are compared with exact solutions and other existing method. The comparison between our numerical results and those of Sun and Wangreveals that our method improves the accuracy of space and time directions.