bluuebunny/crossref_metadata_2025_split huggingface dataset:
Accumulation of functional metabolites and transcriptomics in postharvest fume‐drying and air‐drying process in rhubarb
Authors: Liang Wei , Zhang Weimei , Chen Yuan , Guo Fengxia , Sun Jiachen , Zhang Xuemin , Li Xia , Gao Wenyuan 
Published: April 2022

AbstractBACKGROUNDThe active component content is an important factor affecting quality of traditional Chinese medicines. The fume‐drying process can effectively improve the content of active components in rhubarb, but the accumulation dynamics and molecular mechanisms are not known. In this study, variations in the active components of rhubarb during the drying process were determined, and the most intense changes in the active components were preferred for transcriptome inquiry.RESULTSThe results showed that the accumulation of active ingredients could be significantly promoted in the early stage of fume‐drying and air‐drying. In particular, the active ingredients increased by 61.57% (from 44.58 to 72.02 mg g−1) on the fourth day of fume‐drying. A total of 4191 DEGs (differentially expressed genes) were identified by transcriptome analysis when the active components changed significantly. Transcriptome data of different dried rhubarb samples revealed, that the fume‐drying process could significantly improve the expression of genes relevant to respiration, phenolic acid, and anthraquinone synthesis pathways in rhubarb, which was more conducive to the synthesis and accumulation of the active components.CONCLUSIONFume‐drying stimulated respiration and secondary metabolite synthesis in rhubarb cells by exerting strong external stress on freshly harvested rhubarb. This study revealed the variations and molecular mechanism of active component accumulation in the rhubarb drying process and might serve as a guide for the development of alternative methods for rhubarb fumigation and drying process. © 2022 Society of Chemical Industry.
Confinement Assembly of Terpolymer‐Based Janus Nanoparticles
Authors: Azhdari Suna , Herrmann Fabian , Coban Deniz , Linders Jürgen , Gröschel André H. 
Published: April 2022

AbstractWhile the confinement assembly of block copolymers into functional microparticles has been extensively studied, little is known about the behavior of Janus nanoparticles (JNPs) in spherical confinement. Here, the confinement self‐assembly of JNPs in drying emulsion droplets is investigated and their behavior compared to their ABC triblock terpolymer precursors. Emulsions of both materials are prepared using Shirasu Porous Glass membranes leading to narrow size distributions of the microparticles with average hydrodynamic radii in the range of Rh = 250–500 nm (depending on the membrane pore radius, Rpore). The internal structure of the microparticles is verified with transmission electron microscopy (TEM) on ultrathin cross sections and compared to the corresponding bulk morphologies. While the confinement assembly of terpolymers results in microparticles with ordered inner morphologies, order for JNPs diminishes when the Janus balance deviates from parity.
QSPR Modelling of the Solubility of Drug and Drug‐like Compounds in Supercritical Carbon Dioxide
Authors: Euldji Imane , Si‐Moussa Cherif , Hamadache Mabrouk , Benkortbi Othmane 
Published: April 2022

AbstractQuantitative structure–property relationship (QSPR) modeling was investigated to predict drug and drug‐like compounds solubility in supercritical carbon dioxide. A dataset of 148 drug\drug‐like compounds, accounting for 3971 experimental data points (EDPs), was collected and used for modelling the relationship between selected molecular descriptors and solubility fraction data achieved by a nonlinear approach (Artificial neural network, ANN) based on molecular descriptors. Experimental solubility data for a given drug were published as a function of temperature and pressure. In the present study, 11 significant PaDEL descriptors (AATS3v, MATS2e, GATS4c, GATS3v, GATS4e, GATS3 s, nBondsM, AVP‐0, SHBd, MLogP, and MLFER_S), the temperature and the pressure were statistically proved to be sufficient inputs. The architecture of the optimized model was found to be {13,10,1}. Several statistical metrics, including average absolute relative deviation (AARD=3.7748 %), root mean square error (RMSE=0.5162), coefficient of correlation (r=0.9761), coefficient of determination (R2=0.9528), and robustise (Q2=0.9528) were used to validate the obtained model. The model was also subjected to an external test by using 143 EDPs. Sensitivity analysis and domain of application were examined. The overall results confirmed that the optimized ANN‐QSPR model is suitable for the correlation and prediction of this property.
MZI interferometric fiber optic temperature sensor based on MFC
Authors: Yang Tianyu , Feng Yue , Tang Mingda , Liu Chi , Liu Xin , Zhang Jinmeng , Shen Tao 
Published: April 2022

AbstractFor biological embryo incubation, it is very important to monitor temperature accurately, so a new Mach–Zder interference (MZI) fiber temperature sensor is based on a microfiber coupler (MFC). It consists of a 3 dB fiber coupler and MFC forming an MZI structure. Since the MFC has strong evanescent field properties, higher sensitivity can be generated when fully acting with the external temperature environment. The experimental results show that the optical fiber sensor has good temperature response properties in the temperature range of 24–38°C, and the temperature sensitivity increases rapidly as the MFC waist diameter decreases. The maximum wavelength sensitivity of approximately 191.93 pm/°C and R2 = 0.98739, with the advantages of high sensitivity, simple manufacturing, and low cost can be applied in the field of bioincubation temperature monitoring.
Q‐switched neodymium‐doped fiber laser with a gold nanoparticle saturable absorber
Authors: Rosol A. H. A. , Zulkipli N. F. , Apsari R. , Yasin M. , Harun S. W. 
Published: April 2022

AbstractA gold nanoparticle saturable absorber (SA) was successfully employed in a Neodymium‐doped fiber laser (NDFL) cavity for pulse generation via a Q‐switching mechanism for the first time. The SA device made by mixing the gold nanoparticles into PVA solution before being dried onto a fiber ferrule was included in the NDFL cavity, which was optimized to obtain Q‐switched pulses centered at 1089 nm wavelength. The pulse rate of the laser rose from 32.1 to 47.6 kHz while the pulse width fell from 8.7 to 5.8 µs as the 808 nm pump laser was varied from 67 to 114 mW. The output power also linearly improved from 4.16 to 5.07 mW as the pump strength boosted from 145.83 to 187.04 mW. The gold nanoparticles SA also offers excellent modulation depth of 5.6%, which is fit for SA purpose. The developed Q‐switched laser has numerous applications including, material micromachining, communication, sensing, and so on.
A high gain and wide bandwidth Grooved AML loaded Vivaldi Antenna design for imaging and communication applications
Authors: Binzlekar Vibhor , Sharma Anand , Agarwal Smriti 
Published: April 2022

AbstractIn this paper, a Vivaldi antenna with a grooved, tapered slot loaded with an artificial material lens (AML) is designed and analyzed. The unique feature of the proposed antenna is to provide excellent gain (more than 5.0 dBi) over the entire ultra‐wide bandwidth within the compact area, i.e., 40 × 45 mm2. For improving the gain, symmetrical slot matrices were etched at the flare and AML unit cells were imprinted at the extended dielectric portion. Measured results confirm its operating frequency range from 4.65 to 12.65 GHz, having a peak gain of 9.2 dBi to a minimum of 5 dBi. As compared to conventional antenna, the proposed Vivaldi antenna shows an increase in gain of 2.2 dBi. Furthermore, time‐domain analysis suggests very good isolation (∼35 dB), linear phase response, and negligible group delay (∼1 ns). The compact size, wide bandwidth, good gain, stable radiation, and transient features make it a suitable choice for imaging, and communication applications.
NMR spectroscopic and theoretical study on the isomerism of dimethyl benzodiazepine(diylidene)diacetates
Authors: Michalik Dirk , Jiao Haijun , Langer Peter 
Published: April 2022

AbstractThe isomerism of dimethyl 2,2′‐(7,8‐dichloro‐1H‐benzo[b][1,4]diazepine‐2,4‐(3H,5H)diylidene)diacetate (1a) and dimethyl 2,2′‐(7,8‐dichloro‐3‐methyl‐1H‐benzo[b][1,4]diazepine‐2,4‐(3H,5H)diylidene)diacetate (1b) was investigated by 1H, 13C and 15N nuclear magnetic resonance (NMR) spectroscopy. In CDCl3 solution, inversion of the diazepine ring was observed, whereas in (D6)DMSO and (D7)DMF solution, besides the ring inversion, a partial cleavage of one chelate ring appeared connected with (E/Z) isomerization about one of the exocyclic C=C bonds. Gibbs free energies (ΔG) and free activation energies (ΔG≠) were calculated based on B3PW91‐SCRF/ZVP DFT computations. Agreement between NMR data and density functional theory (DFT) computations was found.
Optimal saturation recovery time for minimizing the underestimation of arterial input function in quantitative cardiac perfusion MRI
Authors: Fan Lexiaozi , Hong Kyungpyo , Hsu Li‐Yueh , Carr James C. , Allen Bradley D. , Lee Daniel C. , Kim Daniel 
Published: April 2022

PurposeThe purpose of this study was to determine an optimal saturation‐recovery time (TS) for minimizing the underestimation of arterial input function (AIF) in quantitative cardiac perfusion MRI without multiple gadolinium injections per subject.MethodsWe scanned 18 subjects (mean age = 59 ± 14 years, 9/9 males/females) to acquire resting perfusion data and 1 additional subject (age = 38 years, male) to obtain stress‐rest perfusion data using a 5‐fold accelerated pulse sequence with radial k‐space sampling and applied k‐space weighted image contrast (KWIC) filters on the same k‐space data to retrospectively reconstruct five AIF images with effective TS ranging from 10 to 21.2 ms (2.8 ms steps). Undersampled images were reconstructed using a compressed sensing framework with temporal‐total‐variation and temporal‐principal‐component as 2 orthogonal sparsifying transforms. The image processing steps included, same motion correction across five different AIF images, signal normalization by the proton‐density‐weighted‐image, signal‐to‐T1 conversion using a Bloch equation, T1‐to‐gadolinium‐concentration conversion assuming fast water exchange, T2* correction to the AIF, and gadolinium‐concentration to myocardial blood flow (MBF) conversion based on a Fermi model.ResultsAmong five TS values, the shortest TS (10 ms) produced significantly (P < 0.05) higher peak AIF and lower resting MBF (13.73 mM, 0.73 mL g−1 min−1) than 12.8 ms (11.24 mM, 0.89 mL g−1 min−1), 15.6 ms (9.56 mM, 1.05 mL g−1 min−1), 18.4 ms (8.55 mM, 1.17 mL g−1 min−1), and 21.2 ms (7.95 mM, 1.27 mL g−1 min−1). Similarly, shorter TS reduced underestimation of AIF (or overestimation of MBF) for both during stress and at rest, but this effect was canceled in myocardial‐perfusion‐reserve (MPR).ConclusionThis study demonstrates that TS of 10 ms reduces the underestimation of AIF and, hence, the overestimation of MBF compared with longer TS values (12.8‐21.2 ms).
Preconditioners for fractional diffusion equations based on the spectral symbol
Authors: Barakitis Nikos , Ekström Sven‐Erik , Vassalos Paris 
Published: April 2022

AbstractIt is well known that the discretization of fractional diffusion equations with fractional derivatives , using the so‐called weighted and shifted Grünwald formula, leads to linear systems whose coefficient matrices show a Toeplitz‐like structure. More precisely, in the case of variable coefficients, the related matrix sequences belong to the so‐called generalized locally Toeplitz class. Conversely, when the given FDE has constant coefficients, using a suitable discretization, we encounter a Toeplitz structure associated to a nonnegative function , called the spectral symbol, having a unique zero at zero of real positive order between one and two. For the fast solution of such systems by preconditioned Krylov methods, several preconditioning techniques have been proposed in both the one‐ and two‐dimensional cases. In this article we propose a new preconditioner denoted by which belongs to the ‐algebra and it is based on the spectral symbol . Comparing with some of the previously proposed preconditioners, we show that although the low band structure preserving preconditioners are more effective in the one‐dimensional case, the new preconditioner performs better in the more challenging multi‐dimensional setting.
Disciplinary proper orthogonal decomposition and interpolation for the resolution of parameterized multidisciplinary analysis
Authors: Berthelin Gaspard , Dubreuil Sylvain , Salaün Michel , Bartoli Nathalie , Gogu Christian 
Published: April 2022

AbstractThis article proposes a new method for the resolution of parameterized coupled systems of equations, such as typical in multidisciplinary analysis (MDA). It is based on the use of disciplinary surrogate models within a multi‐query context. The main idea is to replace the costly disciplinary solvers of the MDA by Proper Orthogonal Decomposition and Interpolation models. The main challenge we address is the high‐dimensional coupling variables whose ranges are unknown. To overcome this issue, a training strategy is developed by uncoupling the disciplinary solvers from the MDA context. This new surrogate MDA called Disciplinary Proper Orthogonal Decomposition and Interpolation is iteratively enriched to solve the analysis with an estimation of the error made by the surrogate models. The disciplinary surrogate model which has the most influence on this error is determined by a sensitivity analysis and thus enriched. This approach allows to uncouple the disciplinary solvers during the training and enrichment phases. The approach is applied to various aeroelastic problems of an aircraft wing and allows to reduce by a factor of 5 the mean number of disciplinary solver calls needed for the resolution of the MDA.
A robust optimization formulation for dynamic pricing of a web service with limited total shared capacity
Authors: Safari Ehram , Roshanaei Vahid , Rastpour Amir 
Published: April 2022

AbstractThis article provides a robust optimization formulation to tackle the demand uncertainty in the web service dynamic pricing problem where a provider offers a web service with different service levels (i.e., web service classes) to manage capacity and maximize profit. Consumers may buy their required web service through a reservation system and have the right with no obligation to cancel their purchases as long as they pay the penalty. In this article, we develop a robust optimization formulation for the model in which the demand of a service class is a linear function of the price; the total shared capacity of the provider for the web service is limited; the demand function coefficients and cancelation rate are time‐dependent. We demonstrate that the robust formulation is of the equivalent order of complexity as the nominal problem. Eventually, we obtain the optimality condition and some managerial insights into the problem according to the maximum principal and provide an algorithm to find the optimal pricing policy as a function of the time on a finite time horizon. Numerical analyses are performed to evaluate the effect of uncertainty on the objective function. Furthermore, the proposed algorithm is compared with some existing approaches. The preliminary results show that the proposed algorithm offers better results than other algorithms such as QCP, NLP, GA, and SA in terms of time and accuracy.
When Molecules Meet in Water‐Recent Contributions of Supramolecular Chemistry to the Understanding of Molecular Recognition Processes in Water
Authors: Kubik Stefan 
Published: April 2022

AbstractMolecular recognition processes in water differ from those in organic solvents in that they are mediated to a much greater extent by solvent effects. The hydrophobic effect, for example, causes molecules that only weakly interact in organic solvents to stay together in water. Such water‐mediated interactions can be very efficient as demonstrated by many of the synthetic receptors discussed in this review, some of which have substrate affinities matching or even surpassing those of natural binders. However, in spite of considerable success in designing such receptors, not all factors determining their binding properties in water are fully understood. Existing concepts still provide plausible explanations why the reorganization of water molecules often causes receptor‐substrate interactions in water to be strongly exothermic rather than entropically favored as predicted by the classical view of the hydrophobic effect.
Detecting drug resistance in pancreatic cancer organoids guides optimized chemotherapy treatment
Authors: Hennig Alexander , Baenke Franziska , Klimova Anna , Drukewitz Stephan , Jahnke Beatrix , Brückmann Sascha , Secci Ramona , Winter Christof , Schmäche Tim , Seidlitz Therese , Bereuter Jean‐Paul , Polster Heike , Eckhardt Lisa , Schneider Sidney A , Brückner Stefan , Schmelz Renate , Babatz Jana , Kahlert Christoph , Distler Marius , Hampe Jochen , Reichert Maximilian , Zeißig Sebastian , Folprecht Gunnar , Weitz Jürgen , Aust Daniela , Welsch Thilo , Stange Daniel E 
Published: April 2022

AbstractDrug combination therapies for cancer treatment show high efficacy but often induce severe side effects, resulting in dose or cycle number reduction. We investigated the impact of neoadjuvant chemotherapy (neoCTx) adaptions on treatment outcome in 59 patients with pancreatic ductal adenocarcinoma (PDAC). Resections with tumor‐free margins were significantly more frequent when full‐dose neoCTx was applied. We determined if patient‐derived organoids (PDOs) can be used to personalize poly‐chemotherapy regimens by pharmacotyping of treatment‐naïve and post‐neoCTx PDAC PDOs. Five out of ten CTx‐naïve PDO lines exhibited a differential response to either the FOLFIRINOX or the Gem/Pac regimen. NeoCTx PDOs showed a poor response to the neoadjuvant regimen that had been administered to the respective patient in 30% of cases. No significant difference in PDO response was noted when comparing modified treatments in which the least effective single drug was removed from the complete regimen. Drug testing of CTx‐naïve PDAC PDOs and neoCTx PDOs may be useful to guide neoadjuvant and adjuvant regimen selection, respectively. Personalizing poly‐chemotherapy regimens by omitting substances with low efficacy could potentially result in less severe side effects, thereby increasing the fraction of patients receiving a full course of neoadjuvant treatment. © 2022 The Authors. The Journal of Pathology published by John Wiley & Sons Ltd on behalf of The Pathological Society of Great Britain and Ireland.
Retrospective and integrative analyses of molecular characteristics and their specific imaging parameters in pediatric grade 1 gliomas
Authors: Coutant Marie , Lhermitte Benoit , Guérin Eric , Chammas Agathe , Reita Damien , Sebastia Consuelo , Douzal Valérie , Gabor Flaviu , Salmon Alexandra , Chenard Marie‐Pierre , Todeschi Julien , Coca Andres , Heng Marie‐Amelie , Vincent Florence , Entz‐Werlé Natacha 
Published: April 2022

AbstractBackgroundPediatric low‐grade gliomas (PLGG) are the most common brain tumors diagnosed during childhood and represent a heterogeneous group associating variable molecular abnormalities. To go further and develop specific statistical patterns between tumor molecular background, imaging features, and patient outcome, a retrospective study was performed in a group of non‐neurofibromatosis type 1 (non‐NF1) grade 1 PLGGs.Patients and methodsSeventy‐eight children, followed from 2004 to 2017, were retrospectively reported. In this population, we analyzed radiological and molecular parameters. Their therapeutic management comprised surgery or surgery plus chemotherapies.ResultsConsidering all 78 patients, 59 had only a surgical removal and 19 patients were treated with postoperative chemotherapy. Twelve progressions were reported in the partially resected and chemotherapeutic groups, whereas four deaths occurred only in the highly treated patients. As expected, in the global cohort, PLGG with BRAF p.V600E and/or CDKN2A loss exhibited poor outcomes and we evidenced significant associations between those molecular characteristics and their imaging presentation. In the chemo‐treated patients, when associating initial and 6‐month magnetic resonance imaging (MRI) parameters to the molecular features, the good risk situations were significantly linked to the presence of a large tumor cyst at diagnosis and the appearance during treatment of a higher cystic proportion that we called cystic conversion.ConclusionSo, additionally to the presence of BRAF p.V600E or CDKN2A deletion in grade 1 PLGGs, the absence on diagnostic MRI of cystic parts and/or cystic conversion at 6‐month chemotherapy were significantly linked to a worst prognosis and response to treatment. These imaging features should be considered as prognostic markers in future PLGG studies.
Regional anesthesia for sickle cell disease vaso‐occlusive crisis: A single‐center case series
Authors: Karsenty Cecile , Tubman Venée N. , Liu Chyong‐jy Joyce , Fasipe Titilope , Wyatt Karla E. K. 
Published: April 2022

AbstractPain management is challenging for patients with sickle cell disease (SCD) who present in vaso‐occlusive crisis (VOC). Opioid therapy is highly effective, nevertheless undesirable side effects can hinder their effectiveness. Regional anesthesia with deposition of perineural anesthetic offers nociceptive blockade, local vasodilatation, and reduces the inflammatory response. Among pediatric patients, continuous peripheral nerve block (CPNB) for perioperative adjunctive analgesia is safe. Herein, we describe the trajectory of a cohort of pediatric SCD patients with opioid‐refractory upper‐extremity VOC following placement of CPNBs for analgesia; highlighting reduced opioid consumption, improved pain scores, and decreased length of hospitalization.
Photon versus proton whole ventricular radiotherapy for non‐germinomatous germ cell tumors: A report from the Children's Oncology Group
Authors: Mak David Y. , Siddiqui Zain , Liu Zhihui Amy , Dama Hitesh , MacDonald Shannon M. , Wu Shengjie , Murphy Erin S. , Hall Matthew D. , Malkov Victor , Onar‐Thomas Arzu , Ahmed Sameera , Dhall Girish , Tsang Derek S. 
Published: April 2022

AbstractPurposeTo determine if proton therapy reduces doses to cranial organs at risk (OARs) as compared to photon therapy in children with non‐germinomatous germ cell tumors (NGGCT) receiving whole ventricular radiotherapy (WVRT).Methods and materialsDosimetric data for patients with NGGCT prospectively enrolled in stratum 1 of the Children's Oncology Group study ACNS1123 who received 30.6 Gy WVRT were compared. Target segmentation was standardized using a contouring atlas. Doses to cranial OARs were compared between proton and photon treatments. Clinically relevant dose‐volume parameters that were analyzed included mean dose and dose to 40% of the OAR volume (D40).ResultsMean and D40 doses to the supratentorial brain, cerebellum, and bilateral temporal, parietal, and frontal lobes were statistically significantly lower amongst proton‐treated patients, as compared to photon‐treated patients. In a subgroup analysis of patients uniformly treated with a 3‐mm planning target volume, patients who received proton therapy continued to have statistically significantly lower doses to brain OARs.ConclusionsChildren treated with proton therapy for WVRT had lower doses to normal brain structures, when compared to those treated with photon therapy. Proton therapy should be considered for patients receiving WVRT for NGGCT.