bluuebunny/crossref_metadata_2025_split huggingface dataset:
Solvent‐Independent Molecular Weight Determination of Polymers Based on a Truly Universal Calibration
Authors: Voorter Pieter‐Jan , McKay Alasdair , Dai Jinhuo , Paravagna Olga , Cameron Neil R. , Junkers Tanja 
Published: December 2021

AbstractDiffusion‐ordered NMR spectroscopy (DOSY) allows for accurate molecular weight calibration and determination that can be corrected for solvent influences. Polystyrene and poly(ethylene glycol) standards have been used to calibrate DOSY diffusion data for a variety of solvents, showing a high correlation of data when the bulk viscosity of the solvent is accounted for following the Stokes–Einstein equation. In this way, a type of universal calibration is introduced that allows for determinations of average molecular weight that are at least as accurate as those of traditional size‐exclusion chromatography (SEC), if not better. Further, we demonstrate that DOSY calibrations can be used between laboratories, hence removing the need for individual calibration of setups as currently done.
Assessment of biological activity of the caffeine‐derived Pt (II) and Pd (II) complexes
Authors: Jovanović‐Stević Snežana , Ćoćić Dušan , Puchta Ralph , Bogojeski Jovana , Jurišević Milena , Gajović Nevena , Jakovljević Slobodan , Arsenijević Nebojša , Jovanović Ivan , Petrović Biljana 
Published: December 2021

AbstractThe substitution reactions of [Pd (caffeine)2Cl2] and [Pt (caffeine)2Cl2] (caffeine = 1,3,7‐trimethylxanthine) complexes with bio‐molecules such as 9‐methylguanine (9‐MetGua) and guanosine‐5′‐monophosphate (5′‐GMP) were studied spectrophotometrically. Kinetic measurements were performed under the pseudo‐first‐order conditions at 37°C and pH = 7.2 (25‐mM Hepes buffer) with the addition of 50‐mM NaCl. All reactions were carried out in two reaction steps giving the [M (caffeine)2(Nu)2] (M = Pd (II) or Pt (II) and Nu = 5′‐GMP or 9‐MetGua) as the reaction product. The reaction mechanism was also confirmed by nuclear magnetic resonance (NMR) spectroscopy and density functional theory (DFT) calculations. Kinetically data revealed a much higher reactivity of [Pd (caffeine)2Cl2] complex compared with analog platinum‐complex, while 9‐MetGua reacted faster than 5′‐GMP. The interactions of [Pd (caffeine)2Cl2] and [Pt (caffeine)2Cl2] complexes with calf thymus‐DNA (CT‐DNA) and human serum albumin (HSA) were investigated as well. Competitive studies with DNA were performed in the presence of ethidium bromide (EB) and Hoechst dye 33258 (Hoe). The complexes interact with DNA via minor groove rather than by intercalation. High values of binding constants indicate a good binding affinity of complexes toward HSA (104 M−1). Additionally, the experimental results of binding studies between [Pt (caffeine)2Cl2] complex with DNA and HSA were compared by a molecular docking study. The cytotoxicity of [Pd (caffeine)2Cl2] and [Pt (caffeine)2Cl2] complexes was tested against the mouse breast cancer (4T1) and colon cancer (CT26) as well as the human breast cancer (MDA‐MB‐468) and colon cancer (HCT‐116)] cell lines. The results indicate that the [Pt (caffeine)2Cl2] complex has higher cytotoxic capacity compared with [Pd (caffeine)2Cl2] at concentrations higher than 2 μM.
Dental remains of the Middle Pleistocene hominins from the Sima de los Huesos site (Sierra de Atapuerca, Spain): Maxillary dentition
Authors: Bermúdez de Castro José María , Martínez de Pinillos Marina , Martín‐Francés Laura , Modesto‐Mata Mario , García‐Campos Cecilia , Arsuaga Juan Luis , Martinón‐Torres María 
Published: December 2021

AbstractThe Middle Pleistocene site of the Sima de los Huesos (Sierra de Atapuerca, northern Spain) has yielded a considerable number of human fossils during the period 1984–2020. Among them, up to 253 maxillary teeth have been recovered. In this article, we present the description of the eight dental classes of the maxilla following the Arizona State University Dental Anthropology System classification. In addition, we present the mean mesiodistal and buccolingual diameters of these teeth compared to those of Neanderthals and a modern human sample. The morphology of both the anterior and posterior teeth suggests a close relationship of the Sima de los Huesos hominins with the populations of the second half of the Middle Pleistocene of Europe and the Near East, as well as with the so‐called classic Neanderthals of Europe. Features with a recognizable taxonomic signal allow grouping the Sima de los Huesos hominins with different paleodemes into a Neanderthal clade. The dental evidence of the Sima de los Huesos hominins is key to suggest a complex model for the settlement of Europe during the Middle Pleistocene. During this period, different migrations of human groups probably coming from Southwest Asia, replacements, prolonged isolations, as well as hybridization and introgression processes would have contributed to the diversity of hominins in Europe.
Detroit River Phytoplankton Analysis From Water Treatment Plant Data
Authors: Vasquez Adrian A. , Ahmed Abul , Carmona‐Galindo Victor D. , Sehgal Balvinder , Miller Carol J. 
Published: December 2021

Key TakeawaysA new study of phytoplankton in the Detroit River follows significant changes to ecological and environmental conditions in the boundary waters and updates historical data research.Measures to remediate river health in recent years can be evaluated through analysis of the abundance and diversity of phytoplankton communities at a higher taxonomic resolution.By working with community partners to measure phytoplankton communities in the long term, water treatment plants can use the data gained to design an early‐warning system for river changes.
Exploring Dihydroflavonol‐4‐Reductase Reactivity and Selectivity by QM/MM‐MD Simulations
Authors: Diharce Julien , Bignon Emmanuelle , Fiorucci Sébastien , Antonczak Serge 
Published: December 2021

AbstractFlavonoids are secondary metabolites ubiquitously found in plants. Their antioxidant properties make them highly interesting natural compounds for use in pharmacology. Therefore, unravelling the mechanisms of flavonoid biosynthesis is an important challenge. Among all the enzymes involved in this biosynthetic pathway, dihydroflavonol‐4‐reductase (DFR) plays a key role in the production of anthocyanins and proanthocyanidins. Here, we provide new information on the mechanism of action of this enzyme by using QM/MM‐MD simulations applied to both dihydroquercetin (DHQ) and dihydrokaempferol (DHK) substrates. The consideration of these very similar compounds shed light on the major role played by the enzyme on the stabilization of the transition state but also on the activation of the substrate before the reaction through near‐attack conformer effects.
Patient after correction Taussig‐Bing anomaly with severe neo‐aortic regurgitation after sudden cardiac arrest
Authors: Bielecka‐Dabrowa Agata , Bikiewicz Agata , Rybak Marek , Pawliczak Filip , Lewek Joanna , Banach Maciej , Maciejewski Marek 
Published: December 2021

AbstractThe Taussig‐Bing anomaly is a rare cyanotic congenital heart defect treated surgically in the early infancy. The preferred repair procedure is an arterial switch operation combined with ventricular septal defect closure. Despite promising long‐term functional outcomes and survival benefits, neo‐aortic dysfunction and arrhythmias might be relevant complications.
Acute respiratory distress syndrome relapsing in 10 months with an initial manifestation of polymyositis
Authors: Takeda Yukihisa , Ono Mariko , Kinoshita Hayato , Nagatomo Yoko , Miyauchi Hiroki , Tsukamoto Hiroshi , Nakamura Hiroyuki , Aoshiba Kazutetsu 
Published: December 2021

AbstractAutoimmune disorders are an important cause of acute respiratory distress syndrome (ARDS). We report a case of a patient with steroid‐responsive ARDS that relapsed in 10 months with an initial manifestation of seronegative polymyositis. ARDS associated with polymyositis may develop earlier than myopathy and may relapse later.
Europium is Different: Solvent and Ligand Effects on Oxidation State Outcomes and C‐F Activation in Reactions Between Europium Metal and Pentafluorophenylsilver
Authors: Guo Zhifang , Blair Victoria L. , Deacon Glen B. , Junk Peter C. 
Published: December 2021

AbstractUnique outcomes have emerged from the redox transmetallation/ protolysis (RTP) reactions of europium metal with [Ag(C6F5)(py)] (py=pyridine) and pyrazoles (RR′pzH). In pyridine, a solvent not normally used for RTP reactions, the products were mainly EuII complexes, [Eu(RR′pz)2(py)4] (RR′pz=3,5‐diphenylpyrazolate (Ph2pz) 1; 3‐(2‐thienyl)‐5‐trifluoromethylpyrazolate (ttfpz) 2; 3‐methyl‐5‐phenylpyrazolate (PhMepz) 3). However, use of 3,5‐di‐tert‐butylpyrazole (tBu2pzH) gave trivalent [Eu(tBu2pz)3(py)2] 4, whereas the bulkier N,N′‐bis(2,6‐difluorophenyl)formamidine (DFFormH) gave divalent [Eu(DFForm)2(py)3] 5. In tetrahydrofuran (thf), the usual solvent for RTP reactions, C−F activation was observed for the first time with [Ag(C6F5)(py)] in such reactions. Thus trivalent [{Eu2(Ph2pz)4(py)4(thf)2(μ‐F)2}{Eu2(Ph2pz)4(py)2(thf)4(μ‐F)2}] (6), [Eu2(ttfpz)4(py)2(dme)2(μ‐F)2] (7), [Eu2(tBu2pz)4(dme)2(μ‐F)2] (8) were obtained from the appropriate pyrazoles, the last two after crystallization from 1,2‐dimethoxyethane (dme). Surprisingly 3,5‐dimethylpyrazole (Me2pzH) gave the divalent cage [Eu6(Me2pz)10(thf)6(μ‐F)2] (9). This has a compact ovoid core held together by bridging fluoride, thf, and pyrazolate ligands, the last including the rare μ4‐1η5(N2C3): 2η2(N,N′): 3κ(N): 4κ(N′) pyrazolate binding mode. With the bulky N,N′‐bis(2,6‐diisopropylphenyl)formamidine (DippFormH), which often favours C−F activation in RTP reactions, neither oxidation to EuIII nor C−F activation was observed and [Eu(DippForm)2(thf)2] (10) was isolated. By contrast, Eu reacted with Bi(C6F5)3 and Ph2pzH or tBu2pzH in thf without C−F activation, to give [Eu(Ph2pz)2(thf)4] (11) and [Eu(tBu2pz)3(thf)2] (12) respectively, the oxidation state outcomes corresponding to that for use of [Ag(C6F5)(py)] in pyridine.
Spiroconjugated Tetraaminospirenes as Donors in Color‐Tunable Charge‐Transfer Emitters with Donor‐Acceptor Structure
Authors: Grenz David C. , Rose Daniel , Wössner Jan S. , Wilbuer Jennifer , Adler Florin , Hermann Mathias , Chan Chin‐Yiu , Adachi Chihaya , Esser Birgit 
Published: December 2021

AbstractCharge‐transfer emitters are attractive due to their color tunability and potentially high photoluminescence quantum yields (PLQYs). We herein present tetraaminospirenes as donor moieties, which, in combination with a variety of acceptors, furnished 12 charge‐transfer emitters with a range of emission colors and PLQYs of up to 99 %. The spatial separation of their frontier molecular orbitals was obtained through careful structural design, and two DA structures were confirmed by X‐ray crystallography. A range of photophysical measurements supported by DFT calculations shed light on the optoelectronic properties of this new family of spiro‐NN‐donor‐acceptor dyes.
Überwachung der kontinuierlichen hydrothermalen Synthese mittels Impedanzspektroskopie
Authors: Schüßler Christian , Zürn Martin , Hanemann Thomas , Türk Michael 
Published: December 2021

AbstractDie kontinuierliche hydrothermale Synthese (CHTS) stellt ein vielversprechendes Verfahren zur Herstellung metalloxidischer Nanopartikel dar. Das Prinzip beruht auf der Vermischung einer kalten wässrigen Metallsalzlösung mit einem nahe‐/überkritischen Wasserstrom. Durch die außergewöhnlichen Eigenschaften des überkritischen Wassers kommt es zur Partikelbildung. Neben der Studie des Einflusses der Prozessparameter auf die resultierende Partikelgröße und ‐verteilung ist die Restkonzentration an gelöstem Metallsalz von Interesse. Diese kann mittels der Impedanzspektroskopie analysiert werden. Dazu werden an einer modifizierten CHTS‐Anlage Vorversuche durchgeführt, um zukünftig die Restkonzentration direkt bestimmen zu können.
Alliance rupture profiles by personality disorder pathology in psychotherapy for depression: Tendencies, development, and timing
Authors: Lipsitz‐Odess Ilana , Benisty Hadas , Dolev‐Amit Tohar , Zilcha‐Mano Sigal 
Published: December 2021

AbstractObjectiveClinical and theoretical considerations presume that patients with different personality disorder (PD) clusters will be associated with distinct alliance rupture profiles; however, there is scarce empirical literature examining this. The present study adopted a systematic framework for investigating profiles of alliance ruptures for individuals belonging to each of the three PD clusters.MethodThe sample consisted of 94 patients from a randomized controlled trial for treatment of depression. PD cluster features were assessed at intake and ruptures were assessed across treatment. Three sets of multilevel analyses were conducted to test differences between the PD clusters in the general tendency to show a rupture profile, rupture development throughout the treatment, and timing of predicting ruptures by PD within sessions.ResultsThe three clusters were associated with distinct profiles of alliance ruptures. Clusters A and B were characterized by a general tendency to show more withdrawal and confrontation ruptures. Cluster A had a greater decrease in confrontation ruptures over the course of treatment, while cluster B had a greater decrease in withdrawal ruptures. Cluster C was characterized by a general tendency to show fewer withdrawal and confrontation ruptures, with a greater increase in both ruptures over the course of treatment. For withdrawal ruptures, the differences between clusters were evident from the beginning of sessions, whereas for confrontation ruptures, there was less of a difference between beginning and end of sessions.ConclusionThe distinct profiles of alliance ruptures for each PD cluster may contribute to progress towards tailoring treatment to individuals with PDs.
The role of cytology as an effective tool in management of omental and peritoneal lesions: Experience of a large health care system
Authors: Kataria Nidhi , Hacking Sean , Abdelwahed Mohammed , Burke Alexander , Karam Priyanka , Gimenez Cecilia , Das Kasturi , Khutti Seema 
Published: December 2021

AbstractBackgroundThe aim of this study is to assess the efficacy of cytology in omental or peritoneal lesions.MethodsA retrospective review of the pathology database for cytology cases of peritoneal or omental nodules over a 3‐year period (2016–2018) was conducted. The cases consisted of either FNA only (FO); FNA and Core biopsy (FCB) or Touch prep and core biopsy (TCB). Cases were further divided based on the prior history of carcinoma. Concordance rates of cytologic diagnosis with histologic diagnosis were studied.ResultsOut of 104 cytology cases reviewed, 60 (57.7%) had prior history of cancer (PHC) and 44 (42.3%) had no prior history of cancer (NPHC). Of the cases with PHC, 43(71.66%) were recurrence, 10 (16.66%) were second cancer, and 7 (11.66%) were non‐neoplastic lesions. Of the cases with NPHC, 38 (86.4%) had a second cancer diagnosis, while 6 (13.6%) were non‐neoplastic. For FO only cases, 11 of 35 (31.4%) had follow up and 9 of 11 (81.8%) were concordant. For FCB cases, 6 out of 39 (15.4%) had follow up and 6 (100%) were concordant. For TCB cases, 9 out of 30 (30%) had follow up and 9 (100%) were concordant. A definite diagnosis was reached in 30/35, 39/39, and 29/30 cases in FO, FCB, and TCB, respectively.ConclusionIn summary, cytologic evaluation of omental lesions is an effective tool in providing accurate diagnosis and guiding further management. Also, the results based on our study show that the combined techniques are superior at reaching a definitive diagnosis.
Cirsium vickifunkiae, a new name for Cirsium validum (Cardueae, Asteraceae)
Authors: Deshmukh Umakant B. , Shende Mukund B. , Reddy Eanguwar Srinivas 
Published: December 2021

AbstractA new name Cirsium vickifunkiae, is proposed to replace the illegitimate later homonym C. validum. According to the Art. 7.11 of Shenzhen Code, the typification of the basionym Carduus validus was not correctly proposed by Ackerfield et al. in 2020. Therefore, a lectotypification of the Greene’s name is here given.
COVID‐19 in the hotspot of Metropolitan Detroit: A multi‐faceted health system experience
Authors: Gifford Linda , Johnson Christine C. , Haque Nadia , Passalacqua Karla D. , Swiderek Jennifer , Kalkanis Steven 
Published: December 2021

AbstractHealth systems were abruptly plunged into a crisis as SARS‐CoV‐2 exploded into a pandemic in spring 2020. In March‐April 2020, Metropolitan Detroit was a US “hotspot.” As a large health system with five hospitals and two behavioural health inpatient facilities, a health insurance company, a medical group and physician network, and 41 ambulatory clinics normally hosting over 10,000 daily patient encounters, the Henry Ford Health System deployed numerous strategies in the management of this upheaval. As hospitals and Emergency Departments were inundated with COVID‐19 patients, other services and activities needed to shut down as state‐mandated policies were promulgated, new internal and external communication networks established, and management of employees and resources such as ventilators, ICU beds, personal protective equipment, and laboratory supplies became critical challenges. We describe herein the system‐wide strategies implemented and lessons learned in the operation of a health system in the initial throes of a global pandemic.
An update on hydroxyapatite/collagen composites: What is there left to say about these bioinspired materials?
Authors: Veiga Anabela , Castro Filipa , Rocha Fernando , Oliveira Ana L. 
Published: December 2021

AbstractHydroxyapatite (HAp)/collagen‐based composite materials have been a constant in the development of bioinspired materials for bone tissue engineering. The most fundamental research works focus on combining HAp, due to its chemical similarity with the mineral component of bones, and collagen, which is the most abundant protein in the body. Modern studies have explored different two‐dimensional (2D) and 3D structures, in order to obtain biomaterials with specific physicochemical, mechanical, and biological characteristics that can be applied in distinct biomedical applications. However, as there is already so much work developed with these materials, it is crucial to question: what can still be done? What is the importance of current know‐how for the future of bioinspired materials? In this paper we intend to review and update the available methodologies to synthesize HAp/collagen composites, along with their characteristics. In addition, the future of these materials in terms of applications and their potential as a cutting‐edge technology is discussed.
MicroRNA‐34a in coronary heart disease: Correlation with disease risk, blood lipid, stenosis degree, inflammatory cytokines, and cell adhesion molecules
Authors: Li Hefei , Chen Mingchao , Feng Qiang , Zhu Lin , Bai Zhichao , Wang Boya , Guo Zhangli , Hou Aijun , Li Hui 
Published: December 2021

AbstractBackgroundMicroRNA‐34a (miR‐34a) plays an essential role in regulating blood lipid, inflammation, cell adhesion molecules, and atherosclerosis, the latter factors are closely involved in the etiology of coronary heart disease (CHD). However, the clinical value of miR‐34a in CHD patients' management is rarely reported. Hence, this study aimed to assess the correlation of miR‐34a with disease risk, blood lipid, coronary artery stenosis, inflammatory cytokines, and cell adhesion molecules of CHD.MethodsA total of 203 CHD patients and 100 controls were recruited in this study, then their plasma samples were collected to detect the miR‐34a by reverse transcription quantitative polymerase chain reaction. Furthermore, serum samples from CHD patients were obtained for inflammatory cytokines and cell adhesion molecule measurement by enzyme‐linked immunosorbent assay.ResultsMiR‐34a was elevated in CHD patients compared to controls (p < 0.001) and it disclosed a good diagnostic value of CHD (area under curve: 0.899, 95% confidence interval: 0.865–0.934). Besides, miR‐34a positively correlated with triglyceride (p < 0.001), total cholesterol (p = 0.022) and low‐density lipoprotein cholesterol (p = 0.004), but not with high‐density lipoprotein cholesterol (p = 0.110) in CHD patients. Moreover, miR‐34a associated with Gensini score in CHD patients (p < 0.001). As to inflammation‐related indexes and cell adhesion molecules, MiR‐34a expression was positively linked with C‐reactive protein (p < 0.001), tumor necrosis factor alpha (p = 0.005), interleukin (IL)‐1β (p = 0.020), IL‐17A (p < 0.001), vascular cell adhesion molecule‐1 (p < 0.001), and intercellular adhesion molecule‐1 (p = 0.010) in CHD patients, but not with IL‐6 (p = 0.118) and IL‐10 (p = 0.054).ConclusionMiR‐34a might serve as a biomarker in assistance of diagnosis and management of CHD.
Clinical study of autoantibodies in type 1 diabetes mellitus children with ketoacidosis or microalbuminuria
Authors: Zhang Mingying , Wang Xinhui , Wang Rui , Shu Jianbo , Zhi Xiufang , Gu Chunyu , Pu Linjie , Cai Chunquan , Yang Wei , Lv Ling 
Published: December 2021

AbstractAimsThe study aimed to investigate the value of autoantibodies in predicting the risk of ketoacidosis or microalbuminuria in children with type 1 diabetes mellitus.MethodsClinical data and laboratory indicators of 80 patients with type 1 diabetes admitted to the Department of Endocrinology in Tianjin Children's Hospital, from June 2017 to March 2019, were retrospectively analyzed. The patients were divided into two groups: diabetes without ketoacidosis group (n = 20) and diabetes with ketoacidosis group (n = 60). The differences in general data, laboratory test indexes, and autoantibodies between the two groups were analyzed. Finally, ROC curves and multivariate logistic regression analysis were used to explore the value of autoantibodies in patients with ketoacidosis or microalbuminuria.ResultsA total of 80 children with type 1 diabetes were assessed, including 35 boys and 45 girls, ranging in age from 10 months to 15 years. The concentration of GADA, IA2A, and ZnT8A was not statistically different between the two groups, but the positive rate of ZnT8A was statistically significant (p = 0.038) and had a diagnostic value for the occurrence of ketoacidosis (p = 0.025). ZnT8A‐positive patients had a higher titer of IA2A and a more frequent prevalence of GADA and IA2A than ZnT8A‐negative patients (p < 0.01). In multivariate logistic regression analyses, the presence of positive ZnT8A was associated with a higher risk of microalbuminuria independent of age, sex, and BMI (OR = 4.184 [95% CI 1.034~16.934], p = 0.045).ConclusionsThe positive ZnT8A had diagnostic value for ketoacidosis in children with type 1 diabetes and had the highest specificity among the three kinds of autoantibodies. Moreover, ZnT8A positivity was related to a higher titer of IA2A and more frequent occurrence of multiple diabetes‐related autoantibodies. Besides, the presence of positive ZnT8A was an independent risk factor of microalbuminuria in children with type 1 diabetes. Therefore, we can infer that positive ZnT8A may be related to ketoacidosis and microalbuminuria, accelerating the progression of T1DM.