bluuebunny/crossref_metadata_2025_split huggingface dataset:
The water molecule arrangement over the side chain of some aliphatic amino acids: A quantum chemical and bottom‐up investigation
Authors: Lanza Giuseppe , Chiacchio Maria A. 
Published: January 2020

AbstractThe geometry of surrounding water molecules on the side chain of glycine, alanine, α‐aminoisobutyric acid, α‐aminobutyric acid, valine, and related hydrocarbons has been analyzed combining bottom‐up and quantum chemical methodologies. To minimize the cavity size and to prevent water‐water hydrogen bonding loss, the water molecules adopt a shape, resembling the one found in crystal structure of gas clathrate hydrates, with water molecules tangentially oriented to the surface of hydrophobic side chain. The cage is directly hydrogen bonded to the backbone's polar groups, thus hydration shells around hydrophobic and hydrophilic groups are folded together in amphiphilic molecules. The hydrophobe enclathration implies a substantial freedom degree reduction which makes it entropically disfavored. This disadvantageous entropic contribution is partially compensated by the favorable van der Waals interactions with guest in stabilizing clathrate hydrate formation. The water shell around the side chain relates intimately with the side‐chain rotational isomerism. Present data are correlated with the experimental determined populations of the three rotamers, yielding promising results for both α‐aminobutyric acid and valine.
The effect of processing medium on the 2H/1H of carbon‐bound hydrogen in α‐cellulose extracted from higher plants
Authors: Zhu Zhenyu , Yin Xijie , Lu Fengyan , Wang Bo , Ma Ran , Zhao Yu , Wang Ying , Ma Yi , Su Jing , Yan Qiulin , Hocart Charles H. , Zhou Youping 
Published: January 2020

RationaleAlthough the 2H/1H ratio of the carbon‐bound hydrogens (C‐Hs) in α‐cellulose extracted from higher plants has long been used successfully for climate, environmental and metabolic studies, the assumption that bleaching with acidified NaClO2 to remove lignin before pure α‐cellulose can be obtained does not alter the 2H/1H ratio of α‐cellulose C‐Hs has nonetheless not been tested.MethodsFor reliable application of the 2H/1H ratio of α‐cellulose C‐H, we processed plant materials representing different phytochemistries and photosynthetic carbon assimilation modes in isotopically contrasting bleaching media (with an isotopic difference of 273 mUr). All the isotope ratios were measured by elemental analyzer/isotope ratio mass spectrometry (EA/IRMS).ResultsOur results show that H from the bleaching medium does appear in the final pure α‐cellulose product, although the isotopic alteration to the C‐H in α‐cellulose due to the incorporation of processing H from the medium is small if isotopically “natural” water is used to prepare the processing medium. However, under prolonged bleaching such an isotope effect can be significant, implying that standardizing the bleaching process is necessary for reliable 2H/1H measurement.ConclusionsThe currently adopted method for removing lignin for α‐cellulose extraction from higher plant materials with acidified NaClO2 bleaching is considered acceptable in terms of preserving the isotopic fidelity if isotopically “natural” water is used to prepare the bleaching solution.
Physiological role of actin regulation in male fertility: Insight into actin capping proteins in spermatogenic cells
Authors: Soda Tetsuji , Miyagawa Yasushi , Fukuhara Shinichiro , Tanaka Hiromitsu 
Published: January 2020

AbstractBackgroundDuring spermatogenesis, cytoskeletal elements are essential for spermatogenic cells to change morphologically and translocate in the seminiferous tubule. Actin filaments have been revealed to be concentrated in specific regions of spermatogenic cells and are regulated by a large number of actin‐binding proteins. Actin capping protein is one of the essential actin regulatory proteins, and a recent study showed that testis‐specific actin capping protein may affect male infertility.MethodsThe roles of actin during spermatogenesis and testis‐specific actin capping protein were reviewed by referring to the previous literature.Main findings (Results)Actin filaments are involved in several crucial phases of spermatogenesis including acrosome biogenesis, flagellum formation, and nuclear processes such as the formation of synaptonemal complex. Besides, an implication for capacitation and acrosome reaction was also suggested. Testis‐specific actin capping proteins are suggested to be associated with the removal of excess cytoplasm in mice. By the use of high‐throughput sperm proteomics, lower protein expression of testis‐specific actin capping protein in infertile men was also reported.ConclusionActin is involved in the crucial phases of spermatogenesis, and the altered expression of testis‐specific actin capping proteins is suggested to be a cause of male infertility in humans.
B,N Codoped Graphitic Nanotubes Loaded with Co Nanoparticles as Superior Sulfur Host for Advanced Li–S Batteries
Authors: Wang Zhuosen , Shen Jiadong , Ji Shaomin , Xu Xijun , Zuo Shiyong , Liu Zhengbo , Zhang Dechao , Hu Renzong , Ouyang Liuzhang , Liu Jun , Zhu Min 
Published: January 2020

AbstractLithium–sulfur batteries (LSBs) are considered as one of the best candidates for novel rechargeable batteries due to their high energy densities and abundant required materials. However, the poor conductivity and large volume expansion of sulfur and the “shuttle effect” of lithium polysulfides (LPSs) have significantly hindered the development and successful commercialization of LSBs. Bean‐like B,N codoped carbon nanotubes loaded with Co nanoparticles (Co@BNTs), which can act as advanced sulfur hosts for the novel LSB cathode, are fabricated. Uniform graphitic nanotubes improve the conductivity of the electrode and load more electroactive sulfur and buffer volume expansion during the electrochemical reaction. In addition, loaded Co nanoparticles and codoped B,N sites can significantly suppress the “shuttle effect” of LPSs with strong chemical interaction. It is established that the Co nanoparticles and codoped B,N can provide more active sites to catalyze the redox reaction of sulfur cathode. This stable Co@BNTs‐S cathode displays an exceptional electrochemical performance (1160 mA h g−1 after 200 cycles at 0.1 C) and outstanding stable cycle performance (1008 mA h g−1 after 400 cycles at 1.0 C with an extremely low attenuation rate of 0.038% per cycle).
Symmetry‐Reduction Enhanced Polarization‐Sensitive Photodetection in Core–Shell SbI3/Sb2O3 van der Waals Heterostructure
Authors: Xiao Mengqi , Yang Huai , Shen Wanfu , Hu Chunguang , Zhao Kai , Gao Qiang , Pan Longfei , Liu Liyuan , Wang Chengliang , Shen Guozhen , Deng Hui‐Xiong , Wen Hongyu , Wei Zhongming 
Published: January 2020

AbstractStructural symmetry is a simple way to quantify the anisotropic properties of materials toward unique device applications including anisotropic transportation and polarization‐sensitive photodetection. The enhancement of anisotropy can be achieved by artificial symmetry‐reduction design. A core–shell SbI3/Sb2O3 nanowire, a heterostructure bonded by van der Waals forces, is introduced as an example of enhancing the performance of polarization‐sensitive photodetectors via symmetry reduction. The structural, vibrational, and optical anisotropies of such core–shell nanostructures are systematically investigated. It is found that the anisotropic absorbance of a core–shell nanowire is obviously higher than that of two single compounds from both theoretical and experimental investigations. Anisotropic photocurrents of the polarization‐sensitive photodetectors based on these core–shell SbI3/Sb2O3 van der Waals nanowires are measured ranging from ultraviolet (UV) to visible light (360–532 nm). Compared with other van der Waals 1D materials, low anisotropy ratio (Imax/Imin) is measured based on SbI3 but a device based on this core–shell nanowire possesses a relatively high anisotropy ratio of ≈3.14 under 450 nm polarized light. This work shows that the low‐symmetrical core–shell van der Waals heterostructure has large potential to be applied in wide range polarization‐sensitive photodetectors.
Zu Entwurf, Konstruktion und Berechnungsspezifika von aktuellen Großbrücken in Stahlverbundbauweise
Authors: Geißler Karsten , Gebert Gregor 
Published: January 2020

AbstractIn den nächsten Jahren sind zahlreiche Großbrücken im Netz der Bundesfernstraßen durch Neubauten zu ersetzen. Hierbei sind im Bauwerksentwurf die Stahlverbundüberbauten aufgrund der Vorteile bezüglich der Vorfertigung und schnellen Montage häufig die Vorzugsvariante. Im vorliegenden Beitrag wird auf aktuelle Entwicklungen dieser Stahlverbund‐Deckbrücken hinsichtlich des Tragwerksentwurfs einschließlich der Querschnittsgestaltung sowie wichtiger Konstruktionsdetails eingegangen und es werden aktuelle Projekte der DEGES vorgestellt.
Clinical implications of intratumor heterogeneity: challenges and opportunities
Authors: Ramón y Cajal Santiago , Sesé Marta , Capdevila Claudia , Aasen Trond , De Mattos-Arruda Leticia , Diaz-Cano Salvador J. , Hernández-Losa Javier , Castellví Josep 
Published: January 2020

AbstractIn this review, we highlight the role of intratumoral heterogeneity, focusing on the clinical and biological ramifications this phenomenon poses. Intratumoral heterogeneity arises through complex genetic, epigenetic, and protein modifications that drive phenotypic selection in response to environmental pressures. Functionally, heterogeneity provides tumors with significant adaptability. This ranges from mutual beneficial cooperation between cells, which nurture features such as growth and metastasis, to the narrow escape and survival of clonal cell populations that have adapted to thrive under specific conditions such as hypoxia or chemotherapy. These dynamic intercellular interplays are guided by a Darwinian selection landscape between clonal tumor cell populations and the tumor microenvironment. Understanding the involved drivers and functional consequences of such tumor heterogeneity is challenging but also promises to provide novel insight needed to confront the problem of therapeutic resistance in tumors.
Does moral play equilibrate?
Authors: Bomze Immanuel , Schachinger Werner , Weibull Jörgen 
Published: January 2020

AbstractSome finite and symmetric two-player games have no (pure or mixed) symmetric Nash equilibrium when played by partly morally motivated players.The reason is that the “right thing to do” may be not to randomize. We analyze this issue both under complete information between equally moral players and under incomplete information between players of arbitrary degrees of morality. We provide necessary and sufficient conditions for the existence of equilibrium and illustrate the results with examples and counter examples.
Surgical treatment of gynaecomastia: a standard of care in plastic surgery
Authors: Mett Tobias R. , Pfeiler Peter P. , Luketina Rosalia , Bingöl Alperen S. , Krezdorn Nicco , Vogt Peter M. 
Published: January 2020

AbstractBackgroundMany techniques for the surgical treatment of gynaecomastia have been reported to be effective with reasonable limited scar formation. The aim of this study was to develop a grade adopted algorithm for effective and scar sparing techniques in reconstruction of the male breast dependent on aetiology and grading.MethodsOperative techniques, results, rates of revisions and complications were recorded between 2006 and 2018 and results of 164 male patients were analysed, retrospectively. Skin resecting methods have been used in the earlier stage but were later replaced by minimal periareolar incisions and subcutaneous mastectomy. Resections were combined with ultrasound-assisted liposuction up to grade 2b and inferior pedicled breast reduction in 3rd degree gynaecomastias resulting in reduction of scars and effective removal of breast tissue.ResultsRetrospective analysis showed that a periareolar mastopexy was used in 24% of patients with gynaecomastia grade I, IIa and IIb to reshape the breast after subcutaneous mastectomy in the early stage of this study from 2006 to 2010. With the established standardised use of ultrasound-assisted liposuction, only 2% of patients required a mastopexy in the following years. In grade 3 gynaecomastia, the classical approach resulting in an inverted t-scar was later abandoned for an approach with a periareolar and submammary scar and inferior dermoglandular flap. The rate of secondary surgery with the used techniques did not increase.ConclusionsWhen using standardised techniques in reshaping the male breast, an aesthetically pleasing and safe result can be achieved by scar sparing techniques in a safe single-stage procedure.Level of evidenceLevel IV, therapeutic study.
Microwave Thermoablation of Colorectal Liver Metastases Close to Large Hepatic Vessels Under Pringle Maneuver Minimizes the “Heat Sink Effect”
Authors: Rhaiem R. , Kianmanesh R. , Minon M. , Tashkandi A. , Aghaei A. , Ledoux G. , Hoeffel Ch. , Bouche O. , Sommacale D. , Piardi T. 
Published: January 2020

AbstractBackgroundLiver resection and thermoablation are the mainstay of the surgical management of colorectal liver metastases (CRLM). The main limitation of thermoablation is the “heat‐sink” effect for nodules next to large vessels. Herein, we report the preliminary results of microwave ablation (MWA) with associated Pringle maneuver to overcome this flaw.MethodsFrom November 2017, we performed intraoperative MWA with Pringle maneuver for nodules ≤3 cm with immediate proximity to large vessels (distance ≤ 5 mm, diameter ≥ 3 mm). We collected characteristics of nodules, surgical procedures and postoperative morbidity. Diameter of the ablation area, especially the ablative minimal margin, was calculated for each nodule. Recurrence was also evaluated.ResultsNineteen patients underwent MWA with Pringle maneuver for 23 nodules. Nineteen (83%) ablated nodules were located in segments VI, VII and VIII, and one nodule was in segment I. Median size of nodules was 15 mm (10–21). No deaths occurred. Six patients (38%) experienced complications, among them only one was subsequent to the thermal ablation. Ablative minimal margin was ≥5 mm for 19 (83%) nodules. Margin was not sufficient for four nodules, among them only 2/23 cases (8.7%) of in situ recurrence occurred after 12 months of median follow‐up.ConclusionsIn this preliminary study, MWA with Pringle maneuver was associated with a low related morbidity rate and favorable oncological outcome, especially when the radiological minimal margin was sufficient.
Neue Möglichkeiten zur Ermittlung der Nähr- und Schadstoffbelastung in kleinen Fließgewässern – Stationärer Organik- und Anorganik-Sammler
Authors: Flödl Peter , Stelzer Sophie , Zoboli Ottavia , Aman Arabel , Mayer Tobias , Zessner Matthias , Hauer Christoph 
Published: January 2020

ZusammenfassungDie anthropogen verursachte Schadstoffbelastung stellt für das Ökosystem ein potenzielles Risiko dar, weshalb in der EU-Wasserrahmenrichtlinie Zielzustände definiert wurden, um eine nachhaltige Nutzung von Oberflächengewässern auch zukünftig zu sichern. Die hohe Anzahl an Schadstoffen, die oft auch nur in sehr geringen Konzentrationen in der aquatischen Umwelt auftreten, erschweren jedoch deren Nachweis. Die Erforschung der Eintragspfade in Fließgewässer, die Schadstoffmobilität sowie deren mögliche Folgen stellen daher eine besondere Herausforderung dar. Für die Ermittlung der auftretenden Nährstoffe, Schwermetalle und Spurenstoffe wurden deshalb unterschiedliche Messgeräte und Probenahmetechniken entwickelt, die eine Beprobung der Schwebstoffe, der Sedimente und des Oberflächenwassers ermöglichen. Hierbei zeigen sich je nach Methode Vor- und Nachteile, wobei oft eine Limitierung der Anwendbarkeit auf mittlere bis große Gewässer besteht. Für die Ermittlung der Schadstoffkonzentrationen in kleinen Gewässern mit geringen Fließgeschwindigkeiten gibt es hingegen nur eine kleine Auswahl an Messmethoden, die jedoch meist eine gute Infrastruktur vor Ort benötigen. In diesem Beitrag wird gezeigt, dass eine adaptierte Version eines mobilen Geschiebefängers zum Sammeln einer ausreichenden Menge Feinmaterial (Korngrößen <1 mm) sowie Schwimmstoffe genutzt werden kann, um diese anschließend im Labor auf Schadstoffkonzentrationen untersuchen zu können. Die ersten Untersuchungen zeigen hierbei interessante Erkenntnisse in Bezug auf die Verteilung der Schadstoffkonzentrationen und auf das Forschungspotenzial im Bereich des Schadstoffeintrags und -transports in kleinen Einzugsgebieten (<100 km2).
Vulvovaginal atrophy (VVA) in breast cancer survivors (BCS) is still an unmet medical need: results of an Italian Delphi Panel
Authors: Biglia Nicoletta , Del Pup Lino , Masetti Riccardo , Villa Paola , Nappi Rossella E. 
Published: January 2020

Abstract

Purpose
VVA is a common disease, with approximately 50% of all postmenopausal women having related symptoms. VVA has a significant impact on the personal and sexual lives and on many aspects of women’s self-esteem and emotional well-being. It is particularly frequent and severe in patients treated for BC, where it originates significant economic and social costs.
Given the lack of published evidence on this subject, a Delphi Panel was carried out to evaluate:The epidemiology of VVA and of its risk-factors/comorbidities in ItalyThe present standard of care and unmet medical needsThe comparison between recent US epidemiological data and the Italian situationThe health resources used in VVA BC
The burden of illnessDespite the considerable negative impact on quality of life, a disparity between the high prevalence of this condition and the infrequent clinical diagnosis is documented in medical practice and in surveys. This inaccuracy is thought to be primarily a consequence of patients’ unwillingness and/or reluctance to report symptoms in the clinical setting and of health-care professional’s difficulty in approaching this sensitive topic during routine consultations.

Methods
A Delphi Panel methodology was used: a first round of written questionnaires, followed by a plenary meeting with a facilitator and by two additional rounds of telephone interviews.

Results
The prevalence of the condition in Italy can be estimated in 115,000 cases out of 380,000 BC survivors.
The Panel confirmed that the epidemiological findings of a recent pharmacoeconomic analysis of a US claims database can be applied to Italian patient population.
The Panel confirmed also an estimate of 4.25 additional cases/100/yr of UTI (urinary tract infection) in VVA BC patients (vs. a non-VVA-matched population), of 3.68 additional cases of vulvovaginitis, of 6.97 cases of climacteric symptoms, and of 3.64 cases of bone and joint disorders.
As far as the resource use is concerned, in the VVA BC populations, 33.4 additional gynecological visits/100/year can be expected, along with 22.8 additional cancer screenings, 7.07 additional outpatient visits and 5.04 screenings for HPV.

Conclusions
Even in Italy, a diagnosis of VVA, especially in a BC population, is associated with a relevant increase in the burden of illness and social costs, compared to a control population matched for age without VVA. This is due essentially to an increase in comorbidities and resource utilization with the consequence that an adequate treatment could reduce the impact of the condition.
Peripherally inserted central venous catheter (PICC) in outpatient and inpatient oncological treatment
Authors: Mielke Dorothea , Wittig Andrea , Teichgräber Ulf 
Published: January 2020

Abstract
Purpose
So far there is little evidence on peripherally inserted central venous catheter (PICC) in radiation oncology patients maintaining the access during the periods of ambulatory and hospital treatment.

Methods
A total of 522 PICC placements in 484 patients were performed between 11/2011 and 07/2016 at the Department of Radiation Oncology and analysed retrospectively for complications and treatment- and patient-related factors during ambulatory and hospital inpatient use. On initial hospitalization, all patients received a multimodal radio-oncological treatment consisting of radiation and intravenous therapy administered via the PICC.

Results
A total of 18,292 catheter days were documented. Median follow-up from catheter insertion to their removal was 37 days (1–97). The overall complication rate was 4.1 per 1000 catheter days (n = 75, 14.4%). Complications were similar between the cohort of outpatient 3.6 per 1000 catheter days and the cohort of inpatient 4.8 per 1000 catheter days (OR 0.976; 95% CI [0.598; 1.619]; p = 0.924). Severe bloodstream infections occurred at a rate of 0.60 per 1000 catheter days (n = 11, 2.1%), deep vein thrombosis at a rate of 0.82 per 1.000 catheter days (n = 15, 2.9%) and local inflammation at a rate of 1.26 per 1.000 catheter days (n = 23, 4.4%). Only immunotherapy could be identified as an independent risk factor for complications (OR 5.6; 95% CI [2.4; 13.1]; p < 0.001).

Conclusion
Using PICC in outpatients is not associated with an elevated risk of complications. Particular attention should be payed to early identification of PICC associated bloodstream infections. Immunotherapy is an independent risk factor for local skin complication.
Retention of organics and degradation of micropollutants in municipal wastewater using impregnated ceramics
Authors: Tsapovsky Lev , Simhon Michal , Calderone Vincenzo Roberto , Rothenberg Gadi , Gitis Vitaly 
Published: January 2020

Abstract
Pesticides, personal care products, industrial chemicals often pollute surface- and groundwater sources. With trace concentrations and low molecular weights, these micropollutants (MPs) easily penetrate through treatment systems and impose a real health threat on drinking water consumers. The absence of a dedicated MP-retaining treatment technology at water treatment plants results in a constant consumption of MP-contaminated water. Advanced oxidation processes, and in particular the Fenton reaction, can successfully degrade MPs if other, larger, fractions of organics are retained. Here, we suggest a novel combined two-stage retention–degradation approach. Ceramic membranes retain large organics such as bovine serum albumin (BSA). Fenton processes disintegrate nonretained MPs such as methylene blue (MB) and bisphenol A (BPA) that penetrate through the membrane. The efficiency of the suggested approach is high. Single-layered ultrafiltration membrane retains more than 96% BSA and degrades 40–50% of MB and BPA. The degree of degradation depends on both the impregnated metal oxide and the concentration of hydrogen peroxide. Vanadium-based catalysts retain more than 90% MPs but leach into permeate. Ferric oxides were the only stable catalysts that performed better in membranes than when impregnated on α-Al2O3 pellets. A combined retention–degradation can be optimized to result in superior degree of retention. Catalytic ceramic membranes can retain large organic molecules and decompose MPs simultaneously. Three parameters affect the process efficiency: the dynamics of the influent fluid, the catalyst dose and the contact time.

Graphic abstract