bluuebunny/crossref_metadata_2025_split huggingface dataset:
Symbolic Regression and Two‐Point Statistics Assisted Structure‐Property Linkage Based on Irregular‐Representative Volume Element
Authors: Chen Yiming , Hu Xiaobing , Zhao Jiajun , Wang Zhijun , Li Junjie , Wang Jincheng 
Published: October 2022

AbstractQuantifying the microstructure of materials is of significance in material development, especially for building the relationship between structure and property. To establish a remarkable structure‐property (SP) linkage, a novel concept referred to as irregular‐representative volume element (IRVE) based on panoramic image stitching technology (PIST) is proposed and a data‐driven scheme integrating irregular domain‐oriented two‐point statistics, principal component analysis (PCA), and symbolic regression based on genetic programming (GPSR) is constructed. Combining with advanced image processing and genetic programming technologies, this scheme improves the microstructure quantization framework. This scheme can not only be applied in different complex conditions for extracting the information of a material microstructure, but can also to embody details of microstructure from the perspective of large scale. IRVE is demonstrated to have both strong statistical representativeness and sufficient physical interpretation, which makes the scheme robust and reliable. Performing the scheme on an example of ferrite heat‐resistant steels, it shows a powerful ability in building an equational SP linkage with high precision (R= 0.91,RMSE= 13.17), the generalization ability of the linkage is also validated by an unseen steel (relative percentage error is 2.66%). The scheme has bright application prospects in predicting mechanical property and accelerating alloy design.
CoP/Fe‐Co9S8 for Highly Efficient Overall Water Splitting with Surface Reconstruction and Self‐Termination
Authors: Chen Xinhong , Cheng Yumeng , Wen Yunzhou , Wang Yaya , Yan Xiao , Wei Jun , He Sisi , Zhou Jia 
Published: October 2022

AbstractHighly efficient electrochemical water splitting is of prime importance in hydrogen energy but is suffered from the slow kinetics at the anodic oxygen evolution reaction. Herein, combining the surface activation with the heterostructure construction strategy, the CoP/Fe‐Co9S8 heterostructures as the pre‐catalyst for highly efficient oxygen evolution are successfully synthesized. The catalyst only needs 156 mV to reach 10 mA cm−2 and keeps stable for more than 150 h. Inductively coupled plasma optical emission spectrometry, in situ Raman spectroscopy and density functional theory calculations verify that the introduction of Fe can promote the formation of highly active Co(IV)–O sites and lead to a self‐termination of surface reconstruction, which eventually creates a highly active and stable oxygen evolution catalytic surface. Besides, the catalyst also demonstrates high hydrogen evolution reaction activity with an overpotential of 62 mV@10 mA cm−2. Benefiting from its bifunctionality and self‐supporting property, the membrane electrode assembly electrolyzer equipped with these catalysts achieves high overall water splitting efficiency of 1.68 V@1 A cm−2.
Dual pore‐size sieving in a novel oxygenate‐pillared microporous adsorbent for C6 alkane isomers separation
Authors: Su Yun , Chen Rundao , Zhang Peixin , He Xiao , Liu Xing , Liu Yuan , Xiong Hanting , Zhao Zhiwei , Luo Junhui , Chen Jingwen , Chen Shixia , Zeng Zeling , Bao Zongbi , Deng Shuguang , Wang Jun 
Published: October 2022

AbstractAdsorbents executing molecular sieving mechanisms for the efficient separation of n‐hexane (C6) alkane isomers require delicate pore size control, but afford unsatisfactory single‐component separations according to their branch degrees. Herein, we report a novel oxygenate‐pillared microporous adsorbent, MoOFOUR‐Co‐tpb, ([Co(tpb)2MoO4], tpb = 1,2,4,5‐tetra(pyridin‐4‐yl) benzene), with three gourd‐shaped channels for dual pore‐size sieving of C6 isomers. In particular, MoOFOUR‐Co‐tpb excludes 2,2‐dimethylbutane, while 3‐methylpentane (3MP) can enter one channel showing a high uptake of 82.6 mg g−1, contrasting to the n‐hexane (nHEX) adsorption by two channels (136 mg g−1). This dual pore‐size control strategy renders a record high equilibrium–kinetic combined selectivity for nHEX/3MP (30.2). Moreover, three‐ and five‐component breakthrough experiments confirm the practical separation performances and cycling stability. Multiple theoretical simulations reveal the separation mechanism and adsorption sites.
Elevated homocysteine levels: What inborn errors of metabolism might we be missing?
Authors: Gonzalez Aixa , Smith Geoffrey Hughes , Gambello Michael J. , Sokolová Jitka , Kožich Viktor , Li Hong 
Published: October 2022

AbstractElevated total plasma homocysteine (hyperhomocysteinemia) is a marker of cardiovascular, thrombotic, and neuropsychological disease. It has multiple causes, including the common nutritional vitamin B12 or folate deficiency. However, some rare but treatable, inborn errors of metabolism (IEM) characterized by hyperhomocysteinemia can be missed due to variable presentations and the lack of awareness. The aim of this study is to identify undiagnosed IEM in adults with significantly elevated homocysteine using key existing clinical data points, then IEM specific treatment can be offered to improve outcome. We conducted a retrospective study with data mining and chart review of patients with plasma total homocysteine >30 μmol/L over a two‐year period. We offer biochemical and genetic testing to patients with significant hyperhomocysteinemia without a clear explanation to diagnose IEM. We identified 22 subjects with significant hyperhomocysteinemia but no clear explanation. Subsequently, we offered genetic testing to seven patients and diagnosed one patient with classic homocystinuria due to cystathionine beta‐synthase deficiency. With treatment, she lowered her plasma homocysteine and improved her health. This study stresses the importance of a thorough investigation of hyperhomocysteinemia in adults to identify rare but treatable IEM. We propose a metabolic evaluation algorithm for elevated homocysteine levels.
Missense MED12 variants in 22 males with intellectual disability: From nonspecific symptoms to complete syndromes
Authors: Maia Nuno , Ibarluzea Nekane , Misra‐Isrie Mala , Koboldt Daniel C. , Marques Isabel , Soares Gabriela , Santos Rosário , Marcelis Carlo L. M. , Keski‐Filppula Riikka , Guitart Miriam , Gabau Vila Elisabeth , Lehman April , Hickey Scott , Mori Mari , Terhal Paulien , Valenzuela Irene , Lasa‐Aranzasti Amaia , Cueto‐González Anna Maria , Chhouk Brian H. , Yeh Rebecca C. , Neil Jennifer E. , Abu‐Libde Bassam , Kleefstra Tjitske , Elting Mariet W. , Császár Andrea , Kárteszi Judit , Bessenyei Beáta , van Bokhoven Hans , Jorge Paula , van Hagen Johanna M. , de Brouwer Arjan P. M. 
Published: October 2022

AbstractWe describe the phenotype of 22 male patients (20 probands) carrying a hemizygous missense variant in MED12. The phenotypic spectrum is very broad ranging from nonspecific intellectual disability (ID) to the three well‐known syndromes: Opitz–Kaveggia syndrome, Lujan–Fryns syndrome, or Ohdo syndrome. The identified variants were randomly distributed throughout the gene (p = 0.993, χ2 test), but mostly outside the functional domains (p = 0.004; χ2 test). Statistical analyses did not show a correlation between the MED12‐related phenotypes and the locations of the variants (p = 0.295; Pearson correlation), nor the protein domain involved (p = 0.422; Pearson correlation). In conclusion, establishing a genotype–phenotype correlation in MED12‐related diseases remains challenging. Therefore, we think that patients with a causative MED12 variant are currently underdiagnosed due to the broad patients' clinical presentations.
SURVEY, DRILL AND EXCAVATE. Complex geoarchaeological prospection of Bronze Age mounds as a key for understanding undermound architecture. A case study from Myluvannia, Western Ukraine
Authors: Niebieszczański Jakub , Romaniszyn Jan , Makarowicz Przemysław , Rud Vitalii 
Published: October 2022

AbstractIn the area of Western Ukraine, some aspects of mound (barrow) chronology might be resolved by using non‐ or minimally invasive archaeological prospection. As the cemeteries usually comprise two temporal units—the Late Neolithic Corded Ware Culture (third millennium BC) and Middle Bronze Age Komarów culture (second millennium BC)—by referring to particular funerary rites Komarów culture and their magnetic reflection, they can be distinguished by means of magnetometry survey supported with verification drilling. Recognition of the internal structure of the cemeteries is essential when confronted with their vast occurrence in Western Ukraine and also the morphological similarity of mounds. However, due to the great diversity in known grave architecture of the Komarów culture, it is essential to stress that the methodological approach presented here applies only to the specific construction type of burnt wooden and clay structures, which rarely appear in Corded Ware Culture funerary practices. In addition to excavation, the applied methods provided preliminary information on the cultural affiliation and time of the construction of two mounds in Myluvannia in the pre‐excavation stage of research. In this light, it is therefore possible to assess the potential occurrence of Komarów culture mounds in other Western Ukrainian mound cemeteries.
Deciphering the interactions of phytochemicals with ovalbumin, the major food allergen from egg white: spectroscopic and computational studies
Authors: Sarmah Sharat , Hazarika Upasana , Das Sony Moni , Quraishi Sana , Bhatta Anindita , Belwal Vinay Kumar , Jha Anupam Nath , Singha Roy Atanu 
Published: October 2022

AbstractOvalbumin (OVA), the major component of egg white, has been used as a model carrier protein to study the interaction of four bioactive phytochemicals 6‐hydroxyflavone, chrysin, naringin, and naringenin. A static quenching mechanism was primarily associated with the complexation of the flavonoids with OVA. Hydrophobic forces play a major part in the stability of the complexes. The structural changes within the protein in response to flavonoid binding revealed a decrease in OVA's α‐helical content. The hypothesized binding site for flavonoids in OVA overlaps with one or more immunoglobulin E‐binding epitopes that may have some effect in the immunoglobulin E response pathway. The flavonoids remain in the same binding site throughout the simulation time and impart protein stability by forming different noncovalent interactions. This study presents comprehensive information about the interaction of the flavonoids with OVA and the associated structural variations after the binding, which might help researchers better comprehend similar medication pharmacodynamics and provide critical information for future therapeutic development.
A direct enzymatic evaluation platform (DEEP) to fine‐tuning pyridoxal 5′‐phosphate‐dependent proteins for cadaverine production
Authors: Xue Chengfeng , Ng I‐Son 
Published: October 2022

AbstractPyridoxal 5′‐phosphate (pyridoxal phosphate, PLP) is an essential cofactor for multiple enzymatic reactions in industry. However, cofactor engineering based on PLP regeneration and related to the performance of enzymes in chemical production has rarely been discussed. First, we found that MG1655 strain was sensitive to nitrogen source and relied on different amino acids, thus the biomass was significantly reduced when PLP excess in the medium. Then, the six KEIO collection strains were applied to find out the prominent gene in deoxyxylulose‐5‐phosphate (DXP) pathway, where pdxB was superior in controlling cell growth. Therefore, the clustered regularly interspaced short palindromic repeats interference (CRISPRi) targeted on pdxB in MG1655 was employed to establish a novel direct enzymatic evaluation platform (DEEP) as a high‐throughput tool and obtained the optimal modules for incorporating of PLP to enhance the biomass and activity of PLP‐dependent enzymes simultaneously. As a result, the biomass has increased by 55% using PlacI promoter driven pyridoxine 5′‐phosphate oxidase (PdxH) with a trace amount of precursor. When the strains incorporated DEEP and lysine decarboxylase (CadA), the cadaverine productivity was increased 32% due to the higher expression of CadA. DEEP is not only feasible for high‐throughput screening of the best chassis for PLP engineering but also practical in fine‐tuning the quantity and quality of enzymes.
Ultra‐performance liquid chromatography–tandem mass spectrometry determination and pharmacokinetic studies of five phenolic acids in rat plasma after intravenous administration of salvianolic acid for injection
Authors: Feng Cuiyue , Yang Ting , Wei Xiyu , Liu Houru , Zhang Zhenzhen , Zhang Zhifei , Li Wei 
Published: October 2022

AbstractA simple, efficient, and sensitive ultra‐performance liquid chromatography–tandem mass spectrometry (UPLC–MS/MS) method was developed and validated for simultaneous determination and pharmacokinetic study of salvianolic acid D, rosmarinic acid, lithospermicic acid, salvianolic acid B, and salvianolic acid Y in rat plasma after intravenous administration of salvianolic acid for injection. Three doses of administration, containing 10, 25, and 62.5 mg/kg, were investigated. Plasma samples were pretreated using protein precipitation with pre‐cooled acetonitrile. As shown in S1, Chromatographic separation was achieved on a Waters Acquity UPLC® BEH C18 column (1.7 μm, 2.1 × 100 mm) with a mobile phase composed of acetonitrile‐methanol‐0.5% aqueous formic acid (10:30:60, v/v/v) at a flow rate of 0.3 ml/min. MS was detected by electrospray ion source negative ion mode and multiple reaction monitoring mode. The method was fully validated. The calibration curves for the five phenolic acids were linear in the given concentration ranges. The extraction recoveries, matrix effects, intra‐day and inter‐day precisions, and accuracies of the five analytes were all within acceptable limits. No significant difference of elimination half‐life time (T1/2) of five analytes at three doses was observed. Area under the curve and peak concentration (Cmax) of the five analytes demonstrated a linear increase in the doses with the linear correlation r of each analyte at three doses being greater than 0.915. It indicated that the pharmacokinetic behavior of is positively related to the dose in the range of 10–62.5 mg/kg.
Development of UHPLC–MS/MS method for simultaneous determination of tacrolimus and sirolimus in human whole blood and comparisons with two immunoassays
Authors: Liu Boyu , Geng Na , Zhao Haiyan , Tao Yiran , Hu Lei , Huang Lin , Feng Yufei 
Published: October 2022

AbstractTacrolimus (TAC) and sirolimus (SIR) antirejection medications are widely used in organ transplantation. We aimed to develop an ultra‐high performance liquid chromatography tandem mass spectrometry (UHPLC–MS/MS) assay for quantifying TAC and SIR simultaneously and evaluating agreement with chemiluminescence microparticle immunoassay (CMIA) and electrochemiluminescence immunoassay (ECLIA). Whole blood samples collected from 209 TAC and 208 SIR patients were assessed by UHPLC–MS/MS, CMIA and ECLIA. The agreement of the three techniques was assessed using the Bland–Altman plot. The UHPLC–MS/MS assay had a calibration range of 1–100 ng/ml for TAC and SIR. The accuracy and precision were −2.73–4.32% and <4.71% for TAC, respectively, and 0.07–4.84% and <6.5% for SIR, respectively. The three methods had good correlation. In comparison with UHPLC–MS/MS, two immunoassays showed a slight deviation in proportion. An UHPLC–MS/MS method for simultaneously detecting TAC and SIR in human whole blood was developed, validated and comparatively analyzed with CMIA and ECLIA. For determining TAC and SIR, immunoassays displayed acceptable analytical performances in terms of precision and correlation compared with UHPLC–MS/MS. However, further investigation is warranted to examine the novel method.
Patriotism as a conduit to employee environmental engagement in a post‐Soviet economy in transition
Authors: Andrianova Olga , Schaefer Anja , Jones Owain Smoloviç 
Published: October 2022

AbstractThis paper investigates the way in which first‐line managers in Belarusian chemical companies used environmental framings of the notion of homeland and linked these to Soviet‐legacy organisational practices in order to encourage members of staff to engage in proenvironmental behaviour at work. Participants presented three different framings of homeland: Rodina (the motherland), small Rodina (one's more immediate surroundings), and Katorga (“a country with forced labour”) to show how a sense of environmental responsibility could (or could not) be linked to them. Different Soviet‐legacy motivational and mobilisation techniques could be used by front‐line managers to encourage and reward proenvironmental engagement in employees who were amenable to different framings of homeland. The paper contributes to the limited literature on patriotism as a conduit to environmental virtue and engagement, and to the equally scarce literature on proenvironmental attitudes and behaviours in post‐Soviet economies in transition. Through rich, qualitative descriptions of emotionally coloured framings of homeland as constitutive of environmental responsibility, we show how notions of patriotism linked to specific organisational practices provide front‐line managers with a language and motivational techniques to address employees' environmental engagement—or lack thereof.
Tracking motion kinematics and tremor with intrinsic oscillatory property of instrumental mechanics
Authors: Ni Chun‐Lun , Lin Yi‐Ting , Lu Liang‐Yin , Wang Jia‐Huei , Liu Wen‐Chuan , Kuo Sheng‐Han , Pan Ming‐Kai 
Published: October 2022

AbstractTracking kinematic details of motor behaviors is a foundation to study the neuronal mechanism and biology of motor control. However, most of the physiological motor behaviors and movement disorders, such as gait, balance, tremor, dystonia, and myoclonus, are highly dependent on the overall momentum of the whole‐body movements. Therefore, tracking the targeted movement and overall momentum simultaneously is critical for motor control research, but it remains an unmet need. Here, we introduce the intrinsic oscillatory property (IOP), a fundamental mechanical principle of physics, as a method for motion tracking in a force plate. The overall kinetic energy of animal motions can be transformed into the oscillatory amplitudes at the designed IOP frequency of the force plate, while the target movement has its own frequency features and can be tracked simultaneously. Using action tremor as an example, we reported that force plate‐based IOP approach has superior performance and reliability in detecting both tremor severity and tremor frequency, showing a lower level of coefficient of variation (CV) compared with video‐ and accelerometer‐based motion tracking methods and their combination. Under the locomotor suppression effect of medications, therapeutic effects on tremor severity can still be quantified by dynamically adjusting the overall locomotor activity detected by IOP. We further validated IOP method in optogenetic‐induced movements and natural movements, confirming that IOP can represent the intensity of general rhythmic and nonrhythmic movements, thus it can be generalized as a common approach to study kinematics.
Connections between postparotid terminal branches of the facial nerve: An immunohistochemistry study
Authors: Martínez‐Pascual Paula , Pérez‐Lloret Pilar , Alcaide Eva Maranillo , Sanz‐García Carlos , Simón de Blas Clara , Sanudo José , Konschake Marko , Porzionato Andrea , De Caro Raffaele , Macchi Veronica 
Published: October 2022

AbstractIt has been assumed that connections between the postparotid terminal branches of the facial nerve are purely motor. However, the nature of their fibers remains unexplored. The aim of this study is to determine whether these connections comprise motor fibers exclusively. In total 17 connections between terminal facial nerve branches were obtained from 13 different facial nerves. Choline acetyltransferase antibody (ChAT) was used to stain the fibers in the connections and determine whether or not all of them were motor. All connections contained ChAT positive and negative fibers. The average number of fibers overall was 287 (84–587) and the average proportion of positive fibers was 63% (37.7%–91.5%). In 29% of the nerves, >75% of the fibers were ChAT+ (strongly positive); in 52.94%, 50%–75% were ChAT+ (intermediately positive); and in 17.65%, <50% were ChAT+ (weakly positive). Fibers traveling inside the postparotid terminal cranial nerve VII branch connections are not exclusively motor.
Decision regret related to urinary diversion choices after cystectomy among Chinese bladder cancer patients
Authors: Hou Yinmeng , Chen Yiqian , Lai Shicong , Seery Samuel , Wang Ling , Li Xiaodan , Liu Huixin , Qin Caipeng , Li Wei , Lu Xiangyun , Liu Chunxia , Wang Jia , Xu Tao 
Published: October 2022

AbstractAimTo explore factors associated with decision regret after cystectomy among Chinese bladder cancer patients.MethodsThis cross‐sectional study involved 112 patients, who had received radical bladder cancer resection. Participants were recruited from August 2021 until January 2022. The decision regret scale (DRS), decision conflict scale (DCS), and the Functional Assessment of Cancer Therapy–Bladder cancer (FACT‐BL) form were used to measure decision regret, decision conflict, and quality of life. Investigator‐designed items further explored perceptions involved in decision‐making participation and outcomes.ResultsThe average score for decision regret was 26.21 (SD 15.886), while decision conflict was 20.27 (SD 13.375) and quality of life was 94.74 (SD 20.873). 57.1% of our participants had a little knowledge about the quality of life of patients who chose an alternate urinary diversion method; however, only 13.4% reported having a clear understanding. In addition, 8.9%, 26.8%, and 36.6% thought that quality of life related to alternate decisions was poor, average, or good, respectively. Multiple regression analysis suggested that decision regret is associated with decision conflict, quality of life, and the perceptions that others (who took alternate urinary diversion decisions) had a better quality of life.ConclusionDecision regret is common among Chinese bladder cancer patients, after cystectomy. The prevalence of regret appears to be much higher in Chinese bladder cancer patients compared to similar studies from other regions. Decisions in mainland China are often made by the treating physician or by family members which may cause more profound regret. However, education and economic status are positively related to higher levels of regret which creates questions around knowing, participation, and expectations, which must be explored.