bluuebunny/crossref_metadata_2025 huggingface dataset:
Circulating acyl and des-acyl ghrelin levels in obese adults: a systematic review and meta-analysis
Authors: Wang Yanmei , Wu Qianxian , Zhou Qian , Chen Yuyu , Lei Xingxing , Chen Yiding , Chen Qiu
Published: February 2022

Ghrelin is the only known orexigenic gut hormone, and its synthesis, secretion and degradation are affected by different metabolic statuses. This meta-analysis aimed to investigate the potential differences in plasma acyl ghrelin (AG) and des-acyl ghrelin (DAG) concentrations between normal weight and obese adults. Systematic literature searches of PubMed, Embase and Web of Science through October 2021 were conducted for articles reporting AG or DAG levels in obesity and normal weight, and 34 studies with 1863 participants who met the eligibility criteria were identified. Standardized mean differences (SMDs) with 95% confidence intervals (CIs) were calculated to evaluate group differences in circulating AG and DAG levels. Pooled effect size showed significantly lower levels of baseline AG (SMD: − 0.85; 95% CI: − 1.13 to − 0.57; PSMD < 0.001) and DAG (SMD: − 1.06; 95% CI: − 1.43 to − 0.69; PSMD < 0.001) in obese groups compared with healthy controls, and similar results were observed when subgroup analyses were stratified by the assay technique or storage procedure. Postprandial AG levels in obese subjects were significantly lower than those in controls when stratified by different time points (SMD 30 min: − 0.85, 95% CI: − 1.18 to − 0.53, PSMD < 0.001; SMD 60 min: − 1.00, 95% CI: − 1.37 to − 0.63, PSMD < 0.001; SMD 120 min: − 1.21, 95% CI: − 1.59 to − 0.83, PSMD < 0.001). In healthy subjects, a postprandial decline in AG was observed at 120 min (SMD: − 0.42; 95% CI: − 0.77 to − 0.06; PSMD = 0.021) but not in obese subjects (SMD: − 0.28; 95% CI: − 0.60 to 0.03; PSMD = 0.074). The mean change in AG concentration was similar in both the obese and lean health groups at each time point (ΔSMD30min: 0.31, 95% CI: − 0.35 to 0.97, PSMD = 0.359; ΔSMD60min: 0.17, 95% CI: − 0.12 to 0.46, PSMD = 0.246; ΔSMD120min: 0.21, 95% CI: − 0.13 to 0.54, PSMD = 0.224). This meta-analysis strengthens the clinical evidence supporting the following: lower baseline levels of circulating AG and DAG in obese individuals; declines in postprandial circulating AG levels, both for the healthy and obese individuals; a shorter duration of AG suppression in obese subjects after meal intake. These conclusions have significance for follow-up studies to elucidate the role of various ghrelin forms in energy homeostasis.
Inequalities in women’s utilization of postnatal care services in Bangladesh from 2004 to 2017
Authors: Aziz Samia , Basit Abdul , Sultana Saima , Homer Caroline S. E. , Vogel Joshua P.
Published: February 2022

Postnatal care (PNC) is an essential component of maternity care. Appropriate and timely care immediately after childbirth can save lives and help to prevent or treat comorbidities resulting from pregnancy and childbirth. Despite its importance, PNC coverage is still low in Bangladesh. The aim of this study was to analyse the trends, inequalities, and factors associated with PNC for mothers in Bangladesh. Data from the last five Bangladesh Demographic and Health Surveys (BDHS) were used. Descriptive statistics were used to report PNC outcome rates and trends across six inequality indicators. Modified Poisson regression analyses were used to identify factors associated with PNC use in the most recent BDHS. A total of 21,240 women were included for the analysis. The rate of PNC by ‘medically trained provider’ within 2 days of birth increased between 2004 and 2017, from 16 to 52%. There were wide inequalities across socio-demographic factors. The regression analyses found women giving birth at home, women from the poorest wealth quintile and women receiving no antenatal care (ANC) were least likely to receive PNC. The findings emphasize the need to improve public health programs supporting women who have the least access to PNC. The identified inequalities can inform policy formulation to ensure more equitable provision of PNC to women in Bangladesh.
Eucalyptus obliqua tall forest in cool, temperate Tasmania becomes a carbon source during a protracted warm spell in November 2017
Authors: Wardlaw Timothy J.
Published: February 2022

Tasmania experienced a protracted warm spell in November 2017. Temperatures were lower than those usually characterising heatwaves. Nonetheless the warm spell represented an extreme anomaly based on the historical local climate. Eddy covariance measurements of fluxes in a Eucalyptus obliqua tall forest at Warra, southern Tasmania during the warm spell were compared with measurements in the same period of the previous year when temperatures were closer to average. Compared with previous year, the warm spell resulted in 31% lower gross primary productivity (GPP), 58% higher ecosystem respiration (ER) and the forest switching from a carbon sink to a source. Significantly higher net radiation received during the warm spell was dissipated by increased latent heat flux, while canopy conductance was comparable with the previous year. Stomatal regulation to limit water loss was therefore unlikely as the reason for the lower GPP during the warm spell. Temperatures during the warm spell were supra-optimal for GPP for 75% of the daylight hours. The decline in GPP at Warra during the warm spell was therefore most likely due to temperatures exceeding the optimum for GPP. All else being equal, these forests will be weaker carbon sinks if, as predicted, warming events become more common.
A numerical study of a lifted $$\hbox {H}_2/\hbox {N}_2$$ flame excited by an axial and flapping forcing
Authors: Tyliszczak Artur , Wawrzak Agnieszka
Published: February 2022

The large eddy simulation method combined with the Eulerian stochastic field approach has been used to study excited lifted hydrogen flames in a stream of hot co-flow in a configuration closely corresponding to the so-called Cabra flame. The excitation is obtained by adding to an inlet velocity profile three types of forcing [(1) axial; (2) flapping; (3) combination of both] with the amplitude of 15% of the fuel jet velocity and the frequency corresponding to the Strouhal numbers $$St=0.30,\, 0.45,\, 0.60\, \,\text {and}\, \,0.75$$

S
t
=
0.30
,

0.45
,

0.60

and

0.75

. It is shown that such a type of forcing significantly changes the lift-off height ($$L_h$$

L
h

) of the flame and its global shape, resulting in the flame occupying a large volume or the flame, which transforms from the circular one into a quasi-planar one. Both the $$L_h$$

L
h

and size of the flames were found to be a function of the type of forcing and its frequency. The minimum value of $$L_h$$

L
h

has been found for the case when the axial and flapping forcing were combined and acted at the forcing frequency close to the preferred one in the non-excited configuration. The impact of the flapping forcing manifested through a widening of the flame in the flapping direction. It was shown that the excitation increases the level of temperature fluctuations caused by an intensified mixing process. The computational results are validated based on the solutions obtained for the non-excited flame for which experimental data are available.
Self-healing behavior of recycled asphalt prepared by residue oil of straw liquefaction based on molecular dynamics simulation
Authors: Zheng Xuewen , Xu Wenyuan , Cao Kai , Li Keke
Published: February 2022

In order to accurately describe the self-healing behavior of recycled asphalt prepared by residue oil of straw liquefaction (ROSL), five ROSL contents of 2%, 4%, 6%, 10%, and 15% were added to the aged asphalt to represent the recycled asphalt and are denoted as ROSL-2, ROSL-4, ROSL-6, ROSL-10, and ROSL-15, respectively. Molecular simulation was used to simulate the healing behavior of nano cracks. A three-layer system was established in which the two sides are asphalt molecules and the middle is a 30 Å vacuum layer. The vacuum layer represented the internal nano cracks in the asphalt. The results show that the disappearance of cracks during the self-healing process was the result of the combined effect of model volume compression and asphalt molecule stretching. Self-healing is mainly affected by the van der Waals forces between the molecules. The self-healing rate of recycled asphalt is closely related to the content of ROSL, the higher the ROSL content, the greater the diffusion coefficient, which is more conducive to asphalt self-healing. However, as the time for ROSL-10 and ROSL-15 to reach the equilibrium distribution of relative concentration and density stability is basically the same, and the diffusion coefficient of ROSL-10 is basically the same as that of virgin asphalt, the optimal content of the ROSL is recommended to be 10%.
Chlamydia pneumoniae can infect the central nervous system via the olfactory and trigeminal nerves and contributes to Alzheimer’s disease risk
Authors: Chacko Anu , Delbaz Ali , Walkden Heidi , Basu Souptik , Armitage Charles W. , Eindorf Tanja , Trim Logan K. , Miller Edith , West Nicholas P. , St John James A. , Beagley Kenneth W. , Ekberg Jenny A. K.
Published: February 2022

Chlamydia pneumoniae is a respiratory tract pathogen but can also infect the central nervous system (CNS). Recently, the link between C. pneumoniae CNS infection and late-onset dementia has become increasingly evident. In mice, CNS infection has been shown to occur weeks to months after intranasal inoculation. By isolating live C. pneumoniae from tissues and using immunohistochemistry, we show that C. pneumoniae can infect the olfactory and trigeminal nerves, olfactory bulb and brain within 72 h in mice. C. pneumoniae infection also resulted in dysregulation of key pathways involved in Alzheimer’s disease pathogenesis at 7 and 28 days after inoculation. Interestingly, amyloid beta accumulations were also detected adjacent to the C. pneumoniae inclusions in the olfactory system. Furthermore, injury to the nasal epithelium resulted in increased peripheral nerve and olfactory bulb infection, but did not alter general CNS infection. In vitro, C. pneumoniae was able to infect peripheral nerve and CNS glia. In summary, the nerves extending between the nasal cavity and the brain constitute invasion paths by which C. pneumoniae can rapidly invade the CNS likely by surviving in glia and leading to Aβ deposition.
A new alternative tool to analyse glycosylation in pharmaceutical proteins based on infrared spectroscopy combined with nonlinear support vector regression
Authors: Hamla Sabrina , Sacré Pierre-Yves , Derenne Allison , Derfoufi Kheiro-Mouna , Cowper Ben , Butré Claire I. , Delobel Arnaud , Goormaghtigh Erik , Hubert Philippe , Ziemons Eric
Published: February 2022

FT-IR spectroscopy combined with a nonlinear Support Vector Regression is a very powerful alternative tool for the quantification of protein glycosylation. SVR regression is an attractive tool to deal with the problem of non-linearities.
Modulating the reaction pathway of phenyl diazonium ions using host–guest complexation with cucurbit[7]uril
Authors: Moorthy Suresh , Castillo Bonillo Alvaro , Lambert Hugues , Kalenius Elina , Lee Tung-Chun
Published: February 2022

Encapsulation of a phenyl diazonium ion inside cucurbit[7]uril can effectively inhibit its reaction with water molecules while preserving its reactivity in diazo coupling reactions.
Mechanistic insights into the photocatalytic reduction of nitric oxide to nitrogen on oxygen-deficient quasi-two-dimensional bismuth-based perovskites
Authors: Hailili Reshalaiti , Wang Zhi-Qiang , Ji Hongwei , Chen Chuncheng , Gong Xue-Qing , Sheng Hua , Zhao Jincai
Published: February 2022

Defective ultrathin-nanosheets achieved breaking of NO and subsequent reconstruction of NN bonds to generate N2/O2 in photocatalytic NO decomposition tests.
Double thermoresponsive graft copolymers with different chain ends: feasible precursors for covalently crosslinked hydrogels
Authors: Xu Jingcong , Abetz Volker
Published: February 2022

Graft copolymers fabricated by photoiniferter reversible addition–fragmentation chain transfer (RAFT) polymerization show unique lower critical solution temperature (LCST) transitions in water and can be easily modified for crosslinking.
Garnet solid-state electrolyte with benzenedithiolate catholyte for rechargeable lithium batteries
Authors: Wang Bo , Jin Yang , Si Yubing , Guo Wei , Fu Yongzhu
Published: February 2022

LLZTO is used in a Li/organosulfide cell. After 100 cycles, the cell still retains 65.6% of the initial capacity. The discharged product interacts with oxygen in LLZTO, improving the interfacial properties between the LLZTO and catholyte.
Interface regulation promoting carbon monoxide gas diffusion electrolysis towards C2+ products
Authors: Yan Yingzhang , Yu Yonghao , Zhang Yumin , Yao Tai , Xu Ping , Song Bo
Published: February 2022

Porous Cu-PMMA hybrid architectures were demonstrated to enhance gas diffusion and ion conductivity, thus facilitating the kinetics of CO electrolysis.
Crystallography-based exploration of non-covalent interactions for the design and synthesis of coumarin for stronger protein binding
Authors: Sepay Nayim , Banerjee Manami , Islam Rajibul , Dey Sankar Prasad , Halder Umesh Chandra
Published: February 2022

Investigating 75 crystal structures of different protein–coumarin systems, interacting amino acids, and the types of non-covalent forces between them to design new coumarins with better performance. We synthesized them and tested their performance.
Correction: Validation of a novel direct-injection chemiluminescence-based method for N-nitrosamine analysis in advanced-treated recycled water, drinking water, and wastewater
Authors: Roback Shannon L. , Kodamatani Hitoshi , Fujioka Takahiro , Plumlee Megan H.
Published: February 2022

Correction for ‘Validation of a novel direct-injection chemiluminescence-based method for N-nitrosamine analysis in advanced-treated recycled water, drinking water, and wastewater’ by Shannon L. Roback et al., Environ. Sci.: Water Res. Technol., 2020, 6, 1106–1115, DOI: 10.1039/C9EW00943D.
Beyond protein modification: the rise of non-canonical ADP-ribosylation
Authors: Schuller Marion , Ahel Ivan
Published: February 2022

ADP-ribosylation has primarily been known as post-translational modification of proteins. As signalling strategy conserved in all domains of life, it modulates substrate activity, localisation, stability or interactions, thereby regulating a variety of cellular processes and microbial pathogenicity. Yet over the last years, there is increasing evidence of non-canonical forms of ADP-ribosylation that are catalysed by certain members of the ADP-ribosyltransferase family and go beyond traditional protein ADP-ribosylation signalling. New macromolecular targets such as nucleic acids and new ADP-ribose derivatives have been established, notably extending the repertoire of ADP-ribosylation signalling. Based on the physiological relevance known so far, non-canonical ADP-ribosylation deserves its recognition next to the traditional protein ADP-ribosylation modification and which we therefore review in the following.
Metagrating solutions for full color single-plate waveguide combiner
Authors: Shramkova Oksana , Drazic Valter , Bourcin Guillaume , Varghese Bobin , Blondé Laurent , Allié Valérie
Published: February 2022

In this work we propose several full-color metagrating solutions for single waveguide-based Augmented and Virtual Reality near-eye display systems. The presented solutions are based on a combination of reflective and/or transmissive diffraction gratings inside or outside a waveguide. The proposed in-coupler designs have high diffraction efficiency across a wide angular range. Applying our new grating combination solution, we can provide good gathering of diffracted rays for the different colors. We demonstrate that by using a dual-mode symmetrical in-coupling system and angular pupil tiling, we can extend the overall horizontal FoV for three RGB colors. The new characteristics of the full single waveguide system including Eye Pupil Expander and out-coupling components compatible with the proposed in-coupling solutions are discussed. We show that a new nonsymmetrical design of metagratings can be used to change its diffraction properties improving the diffraction efficiency and diffraction uniformity of the optical components.
HIV-Erstdiagnosen in Deutschland im Jahr 2014 – eine
regionale Analyse
Authors: Thomas Schleenvoigt Benjamin , Ankert Juliane , Stocker Hartmut , Stoehr Albrecht , Lehmann Clara , Schulz Christian , Wesselmann Hans , Bickel Markus , Haberl Annette , Degen Olaf , Pletz Mathias Wilhelm , Seybold Ulrich , Stephan Christoph ,   für die HIV-Regional Studiengruppe,   HIV-regional Studiengruppe
                        Axel Baumgarten, Christoph Boesecke, Carlos Fritzsche, Thomas Heuchel, Stefanie Holm, Andreas Jenke,
                        Heribert Knechten, Christoph Lübbert, Rainer Lundershausen, Anja Meurer, Ramona Pauli, Nils Postel, Katja Römer,
                        Steve Rößler, Ines Ruck, Thomas Seidel, Markus Sellmann, Matthias Stoll, Christoph Spinner, Petra Spornraft-Ragaller,
                        Michael Waizmann, Eva Wolf, Christoph Wyen
Published: February 2022

Hintergrund Über die qualitative Bedeutung der testenden Zentren
im Gesundheitswesen ist wenig bekannt, gleichzeitig stellen die Late-Presenter
eine immer noch große Gruppe bei den HIV-Erstdiagnosen.

Ziel der Arbeit Analyse des Einflusses von Testzentren und -grund auf die
Prävalenz von HIV-Erstdiagnosen und Late-Presentation, exemplarisch
für das Jahr 2014.

Material und Methoden In einer Querschnittsstudie wurden zu allen im
Netzwerk HIV-Regional Behandelten mit Erstdiagnose HIV im Jahr 2014
retrospektiv, pseudonymisiert und dezentral klinische und demographische
Patienten-Charakteristika inklusive Angaben HIV-Test gesammelt und zentral
statistisch ausgewertet.

Ergebnisse 971 Individuen mit Erstdiagnose HIV aus 31 spezialisierten
Versorgungszentren in ganz Deutschland (15 Kliniken, 16 Praxen)
repräsentieren einen Anteil von 27,5% aller
HIV-Erstdiagnosemeldungen des Robert-Koch-Instituts für 2014, mit
ähnlichen Ergebnissen für CD4-Zellzahl und
HIV-Übertragungsrisiko. Häufigster Testort war das Krankenhaus
(34,8%), gefolgt vom Hausarzt (19,6%) und Facharzt
(16,1%). Wurde die Erstdiagnose in der Klinik gestellt, dann waren die
Betroffenen im Mittel älter als ambulant getestete (42 vs. 37 Jahre,
p=0,001), außerdem fand sich eine höhere HI-Viruslast
(585 vs. 270 Tsd. Kopien/mL, p<0,001) und niedrigere
CD4-Zellzahl (265 vs. 414/µL, p<0,001). Bei
208/971 HIV-positiv getesteten fand sich mindestens eine
AIDS-definierende Erkrankung, am häufigsten die Pneumocystis-Pneumonie
(43,8%), Candidiasis (36,5%) und Kaposi-Sarkom (10,6%).
Im regionalen Vergleich fand sich bei ostdeutschen Erstdiagnostizierten ein
jüngeres Lebensalter, eine höhere HIV-RNA und häufiger
das Vollbild AIDS.

Schlussfolgerung Die HIV-Regional-Analyse zum Jahr 2014 erlaubt
exemplarisch einen tieferen Einblick in die HIV-Erstdiagnosen am Vorabend der
Einführung wichtiger Präventionsmaßnahmen in
Deutschland, z. B. HIV-Heimtests und die
Prä-Expositionsprophylaxe. Diese repräsentative Stichprobe
unterstreicht die Bedeutung spezialisierter Kliniken für die
HIV-Versorgungsstruktur, besonders für Ostdeutschland und allgemein
für die Einbindung sogenannter Late-Presenter ins Gesundheitswesen.
Bellis perennis – ein kleines Mittel mit Tiefgang
Authors: Bitsch Manuela
Published: February 2022

Bellis perennis, ein kleines oft unterschätztes bzw. vergessenes Mittel, das im Schatten der großen Schwester Arnica montana eine bescheidene Existenz fristet.

Was Arnica für das Offensichtliche, Äußerliche ist, das ist Bellis für das Verborgene, in der Tiefe liegende.

Große Schmerzen in der Tiefe, Verletzungen im Beckenbereich oder große Schmerzen durch starke Abkühlung – auch hier finden wir die Richtung in die Tiefe. Hier ist es sowohl in akuten als
auch in chronischen Fällen ein enorm wichtiges Mittel.

Konstitutionell ist es in der Veterinärmedizin noch weitgehend unbeachtet. Ich meine, zu Unrecht.
Rückenschmerzen beim Hund – getragene Probleme und Lösung mit Blütenessenzen
Authors: Smit-Fornahl Brigitta
Published: February 2022

Hunde spiegeln Probleme ihrer Halter wider. Dies kann sich in Verhaltensauffälligkeiten, Veränderung der Schmerzempfindlichkeit und Rückenproblemen äußern. Entzündungshemmende und
schmerzlindernde Medikamente vermögen akute Symptome zu mindern, eine langandauernde Wirkung ist jedoch nur durch eine Veränderung der belastenden Grundsituation zu erreichen.
Blütenessenzen, die sowohl auf strukturell-körperlicher wie auch seelisch-emotionaler Ebene wirken, können alle Mitglieder im systemischen Feld erreichen und eine grundlegende Neuausrichtung
anstoßen.
Behandlung von Rückenerkrankungen beim Pferd mit Laserakupunktur
Authors: Petermann Uwe
Published: February 2022

Laserakupunktur ist der durch eine gezielte Reizung von Nervenpunkten bewirkte Eingriff in vegetative Steuerungsmechanismen mittels Soft- oder Mid-Lasern. Neben der Akupunkturwirkung ist
die lokale Laserwirkung, Low Level Laser Therapy (LLLT), auf die Rückenmuskulatur von zusätzlicher besonderer Bedeutung.

512 Pferde mit Rückenbeschwerden wurden ausschließlich mit Laserakupunktur behandelt. Die hohe Effizienz der Methode, der spontane Wirkungseintritt direkt nach der ersten Behandlung sowie
eine sehr gute Dauerwirkung nach Abschluss der Therapie werden beschrieben. Anhand von einzelnen Fallstudien wird die Vorgehensweise bei der Behandlung erläutert.
Whipple’s disease – a rare and challenging complication in a patient with Crohn’s disease
Authors: Bulut Kerem , Markova Antoaneta , Canbay Ali E. , Schmidt Wolfgang E. , Kahraman Alisan
Published: February 2022

Introduction Whipple’s disease (WD) is a rare and infectious condition leading to multi-organ impairment caused by Tropheryma whipplei (TW), a ubiquitously occurring bacterium. TW can be detected in tissues by histological detection of PAS (“periodic acid-ship reaction”)-positive macrophages and by polymerase-chain-reaction (PCR). Clinically, WD is often characterized by diarrhea, abdominal pain, and weight loss. These symptoms are also typical for a flare in Crohn’s disease (CD) and, therefore, can lead to fatal misdiagnosis and wrong treatment by using biologics (e.g., anti-TNF-α).

Case report We here report a young male patient with pre-existing CD. The patient’s symptoms were misinterpreted as a flare of CD and illustrate the multifaceted nature of WD. After intensifying immunosuppressive therapy, the patient developed therapy-refractory diarrhea with several opportunistic infections with a final, fatal outcome.

Conclusion Patients with inflammatory bowel disease (IBD) are not only at risk from infectious complications known with clostridium difficile or cytomegalovirus (CMV); infection with WD should also be ruled out by endoscopy and biopsy before the escalation of the immunosuppressive regime.
Auswirkungen der COVID-Pandemie auf die Besorgtheit von Patient:innen mit funktionellen gastrointestinalen Symptomen
Authors: Goebel-Stengel Miriam , Lohmiller Jacqueline , Schäffeler Norbert , Zipfel Stephan , Stengel Andreas
Published: February 2022

Funktionelle gastrointestinale Erkrankungen wie das Reizmagen- (funktionelle Dyspepsie, FD) und das Reizdarmsyndrom (RDS) sind stressassoziiert. Die seit 2020 grassierende COVID-19-Pandemie hat Ängste und Stress in der Bevölkerung ausgelöst. Distanzierende Maßnahmen zur Bekämpfung der Pandemie beeinflussen die psychische Gesundheit. Das Ziel dieser Studie war die Untersuchung der Auswirkungen des dritten Lockdowns 12/2020–01/2021 auf die Besorgtheit von Patient:innen mit FD oder RDS.

Patient:innen mit der Diagnose FD oder RDS, die im Jahr 2020 in einer universitären Ambulanz oder in einem Krankenhaus der Regelversorgung im Süden Baden-Württembergs behandelt wurden, nahmen freiwillig an einer anonymen Online-Umfrage zu Begleiterkrankungen, Besorgtheit um COVID-19 und Stresserleben teil.

106 Patient:innen (♀=67, ♂=38, 1 divers) nahmen an der Umfrage teil. Davon hatten 16 FD (♀=9, ♂=6, divers=1), 80 RDS (♀=52, ♂=28) und 10 beides (♀=6, ♂=4). Depressive und Angsterkrankungen waren die häufigsten Komorbiditäten in der FD- (jeweils 25%) und RDS-Gruppe (jeweils 20%). Im Vergleich von Teilnehmenden mit FD und RDS zeigten jene mit RDS signifikant höhere Werte für eine Zunahme der Magen- und Darmbeschwerden während der Pandemie (p=0,007), eine häufigere Vorstellung beim Arzt während der Pandemie, einen stärkeren sozialen Rückzug aufgrund gastrointestinaler Symptome (p=0,05) und höhere Werte für die Befürchtung, dass eine Impfung gegen COVID-19 die Magen- und Darmbeschwerden ungünstig beeinflussen könnte (p=0,05).

In Zeiten der Pandemie scheint eine interdisziplinäre Zusammenarbeit in der Versorgung von Patient:innen mit FD oder RDS mehr denn je vonnöten, um Besorgnisse zu adressieren und eine gute Behandlung anzubieten.
Toxicity of Hydrogen Sulfide on Rat Brain Neurons
Authors: Seydi Enayatollah , Irandoost Zahra , Khansari Mahmoud Ghazi , Naserzadeh Parvaneh , Tanbakosazan Farahnaz , Pourahmad Jalal
Published: February 2022

Hydrogen sulfide (H2S) is a toxic compound known as a member of the
gasotransmitter family. H2S has the ability to inhibit the cytochrome
c oxidase enzyme in the mitochondrial respiratory chain. Mitochondria play an
important role in energy production and the brain needs energy for normal
function. Mitochondrial dysfunction is associated with neurodegenerative
diseases. This study investigated the mechanisms of cytotoxicity induced by
H2S in brain neurons. thioacetamide has been used to produce
H2S in water solutions. The results of the study showed that
thioacetamide at concentrations of 116, 232 and
464 µg/ml was able to increase the level of reactive
oxygen species (ROS), collapse in mitochondrial membrane potential (MMP), damage
to the lysosomal membrane, increase in the level of oxidized glutathione (GSSG)
and decrease in the level of reduced glutathione (GSH) in brain neurons. The
results of the study suggested that H2S causes damage to mitochondria
and lysosomes in brain neurons that could be associated with neurodegenerative
diseases.
Malignant Gastrointestinal Stromal Tumor of Rectum: A Case Report and Review of Literature
Authors: Karthikeyan Mohan , Kolandasamy Chinnusamy , Naganath Babu Obla L.
Published: February 2022

Gastrointestinal stromal tumors (GISTs) are rare tumors of the gastrointestinal tract accounting for less than 1% of all gut tumors. GISTs occurring in the rectum are extremely rare and these usually present at an advanced stage compared with other sites.

We report a case of a middle-aged female who presented with features of anemia and subacute obstruction due to a large rectal tumor and underwent abdominoperineal resection. The histopathological examination confirmed the diagnosis of high-grade malignant GIST with multiple lymph nodal metastasis. She was started on adjuvant imatinib therapy and is on follow-up without any evidence of recurrence.

The authors conclude that GIST must be included in the differential diagnosis of a rectal tumor. Diagnosis is established by biopsy and immunohistochemistry studies. Surgical resection with histological negative margins is the standard curative treatment. Adjuvant targeted therapy can reduce long-term recurrence in high-risk cases.
Neural network tokamak equilibria with incompressible flows
Authors: Kaltsas D. A. , Throumoulopoulos G. N.
Published: February 2022

We present several numerical solutions to a generalized Grad–Shafranov equation (GGSE), which governs axisymmetric plasma equilibria with incompressible flows of arbitrary direction, using fully connected, feed-forward, deep neural networks, also known as multi-layer perceptrons. Such artificial neural networks (ANNs) are trained to approximate tokamak-relevant equilibria upon minimizing the GGSE mean squared residual in the plasma volume and the poloidal flux function on the plasma boundary. Solutions for the Solovev and the general linearizing ansatz for the free functions involved in the GGSE are obtained and benchmarked against known analytic solutions. We also construct a nonlinear equilibrium incorporating characteristics relevant to the high confinement mode. In our numerical experiments, it was observed that changing the radial distribution of the training points has a surprisingly small effect on the accuracy of the trained solution. In particular, it is shown that localizing the training points at the plasma edge results in ANN solutions that describe quite accurately the entire magnetic configuration, thus demonstrating the interpolation capabilities of the ANNs.
First-principles study of oxygen vacancy formation in strained oxides
Authors: Kim Inseo , Lee Hyungwoo , Choi Minseok
Published: February 2022

Based on first-principles density functional theory calculations and chemical bond analyses, we attempted to study the formation of oxygen vacancies (VO) in strained Ti-based oxides. Structural features (e.g., cell volume and mean Ti–O bond length) exhibit a clear and linear correlation with strain. Further, electronic features (e.g., bandgap and Ti–O covalent bond strength) exhibit similar trends for hydrostatic, biaxial, and uniaxial strains, except for shear strains. We investigated the impact of strain on the formation of VO and found that the formation energy in strained oxides was almost linearly linked to changes in the cell volume, bandgap, and Ti–O bond strength of the host oxide, where VO were formed. However, these correlations are not valid in compressively strained systems, which include Ti–O bonds—the bond length being shorter than the sum of Ti and O ionic radii, and shear-strained systems.
Site-selective dynamics of ligand-free and ligand-bound azidolysozyme
Authors: Salehi Seyedeh Maryam , Meuwly Markus
Published: February 2022

Azido-modified alanine residues (AlaN3) are environment-sensitive, minimally invasive infrared probes for the site-specific investigation of protein structure and dynamics. Here, the capability of the label is investigated to query whether or not a ligand is bound to the active site of lysozyme and how the spectroscopy and dynamics change upon ligand binding. The results demonstrate specific differences for center frequencies of the asymmetric azide stretch vibration, the longtime decay, and the static offset of the frequency fluctuation correlation function (FFCF)—all of which are experimental observables—between the ligand-free and the ligand-bound N3-labeled protein. The center-frequency shifts range from 1 to 8 cm−1, which is detectable from state-of-the art experiments. Similarly, the nonvanishing static component Δ0 of the FFCF between ligand-free and ligand-bound protein can differ by up to a factor of 2.5. This makes the azide label a versatile and structurally sensitive probe to report on the dynamics of proteins in a variety of environments and for a range of different applications. Ligand-induced differences in the dynamics are also mapped onto changes in the local and through-space coupling between residues by virtue of dynamical cross correlation maps. This demonstrates that the position where the label is placed also influences the local and global protein motions.
Transferability of data-driven, many-body models for CO2 simulations in the vapor and liquid phases
Authors: Yue Shuwen , Riera Marc , Ghosh Raja , Panagiotopoulos Athanassios Z. , Paesani Francesco
Published: February 2022

Extending on the previous work by Riera et al. [J. Chem. Theory Comput. 16, 2246–2257 (2020)], we introduce a second generation family of data-driven many-body MB-nrg models for CO2 and systematically assess how the strength and anisotropy of the CO2–CO2 interactions affect the models’ ability to predict vapor, liquid, and vapor–liquid equilibrium properties. Building upon the many-body expansion formalism, we construct a series of MB-nrg models by fitting one-body and two-body reference energies calculated at the coupled cluster level of theory for large monomer and dimer training sets. Advancing from the first generation models, we employ the charge model 5 scheme to determine the atomic charges and systematically scale the two-body energies to obtain more accurate descriptions of vapor, liquid, and vapor–liquid equilibrium properties. Challenges in model construction arise due to the anisotropic nature and small magnitude of the interaction energies in CO2, calling for the necessity of highly accurate descriptions of the multidimensional energy landscape of liquid CO2. These findings emphasize the key role played by the training set quality in the development of transferable, data-driven models, which, accurately representing high-dimensional many-body effects, can enable predictive computer simulations of molecular fluids across the entire phase diagram.
Dense hydrogen layers for high performance MagLIF
Authors: Slutz S. A. , Awe T. J. , Crabtree J. A.
Published: February 2022

Magnetized Liner Inertial Fusion (MagLIF) [Slutz et al., Phys. Plasmas 17, 056303 (2010)] experiments driven by the Z machine produce >1013 deuterium-deuterium fusion reactions [Gomez et al., Phys. Rev. Lett. 125, 155002 (2020)]. Simulations indicate high yields and gains (1000) with increased current and deuterium-tritium layers for burn propagation [Slutz et al., Phys. Plasmas 23, 022702 (2016)]. Such a coating also isolates the metal liner from the gaseous fuel, which should reduce mixing of liner material into the fuel. However, the vapor density at the triple point is only 0.3 kg/m3, which is not high enough for MagLIF operation. We present two solutions to this problem. First, a fuel wetted low-density plastic foam can be used to form a layer on the inside of the liner. The desired vapor density can be obtained by controlling the temperature. This does however introduce carbon into the layer which will enhance radiation losses. Simulations indicate that this wetted foam layer can significantly contribute to the fusion yield when the foam density is less than 35 kg/m3. Second, we show that a pure frozen fuel layer can first be formed on the inside of the liner and then low temperature gaseous fuel can be introduced just before the implosion without melting a significant amount of the ice layer. This approach is the most promising for MagLIF to produce high yield and gain.
Vibrational relaxation of carbon dioxide in water
Authors: Gleim Jeannine , Lindner Jörg , Vöhringer Peter
Published: February 2022

The dynamics of vibrational relaxation of carbon dioxide in water has been studied using femtosecond mid-infrared pump–probe spectroscopy with excitation of the anti-symmetric stretching (ν3) fundamental state of the solute. The relaxation dynamics were recorded at a constant pressure of 500 bars and in the temperature range between 300 and 600 K, thereby covering the liquid-to-near-critical region of the solvent. The excited state of the ν3-mode is deactivated in two competing pathways: (i) direct relaxation to the ground state with resonant transfer of the excess vibrational energy into the bending–librational continuum of the water solvent and (ii) relaxation to the bending fundamental state with transfer into the intramolecular bending mode of H2O. The rate of pathway (i) decreases with increasing temperature, from ∼1/(9 ps) at 300 K to ∼(1/16 ps) at 600 K and obeys Fermi’s golden rule strictly, provided that the spectral density of energy-accepting solvent states is derived from the stationary infrared absorption profile of H2O. The rate of pathway (ii) is 1/(23 ps) and assumed to be temperature-independent within our data analysis. Finally, the bending fundamental of CO2 can also relax to the ground state by resonantly transferring the remaining excess energy to the librational fundamentals of the solvent.
Intrinsic diffusion resistance of a membrane channel, mean first-passage times between its ends, and equilibrium unidirectional fluxes
Authors: Berezhkovskii Alexander M. , Bezrukov Sergey M.
Published: February 2022

Diffusive flux of solute molecules through a membrane channel driven by the solute concentration difference on the two sides of the membrane is inversely proportional to the channel diffusion resistance. We show that the intrinsic, channel proper, part of this resistance is the ratio of the sum of the mean first-passage times of the molecule between the channel ends and the molecule partition function in the channel. This is derived without appealing to any specific model of the channel and, therefore, is applicable to transport in channels of arbitrary shape and tortuosity and at arbitrary interaction strength of solute molecules with the channel walls.
Variational formulation of the bond capacity charge polarization model
Authors: Poier Pier Paolo
Published: February 2022

We present an alternative energy formulation of the bond capacity charge polarization model to be used in molecular dynamics simulations. The energy expression consists of a Coulombic charge–charge interaction contribution as well as a quadratic Coulomb potential term, which can be seen as the electrostatic energy stored in the system’s bond capacities. This formulation is shown to be variational in the potential space, although, it shares the same set of charges with the original non-variational formulation of the model. This variational formulation is compared with the non-variational one in terms of few selected observables showing the underlying distinctiveness of the two approaches. Being variational, this formulation allows for the computation of forces by invoking the classical analog of the Hellmann–Feynman theorem, which makes this approach two times faster than the non-variational one.
Origin of thiocyanate spectral shifts in water and organic solvents
Authors: Zhao Ruoqi , Shirley Joseph C. , Lee Euihyun , Grofe Adam , Li Hui , Baiz Carlos R. , Gao Jiali
Published: February 2022

Vibrational spectroscopy is a useful technique for probing chemical environments. The development of models that can reproduce the spectra of nitriles and azides is valuable because these probes are uniquely suited for investigating complex systems. Empirical vibrational spectroscopic maps are commonly employed to obtain the instantaneous vibrational frequencies during molecular dynamics simulations but often fail to adequately describe the behavior of these probes, especially in its transferability to a diverse range of environments. In this paper, we demonstrate several reasons for the difficulty in constructing a general-purpose vibrational map for methyl thiocyanate (MeSCN), a model for cyanylated biological probes. In particular, we found that electrostatics alone are not a sufficient metric to categorize the environments of different solvents, and the dominant features in intermolecular interactions in the energy landscape vary from solvent to solvent. Consequently, common vibrational mapping schemes do not cover all essential interaction terms adequately, especially in the treatment of van der Waals interactions. Quantum vibrational perturbation (QVP) theory, along with a combined quantum mechanical and molecular mechanical potential for solute–solvent interactions, is an alternative and efficient modeling technique, which is compared in this paper, to yield spectroscopic results in good agreement with experimental FTIR. QVP has been used to analyze the computational data, revealing the shortcomings of the vibrational maps for MeSCN in different solvents. The results indicate that insights from QVP analysis can be used to enhance the transferability of vibrational maps in future studies.
Nonlinear electromechanical impedance spectroscopy: A powerful tool for studying amplitude dependent internal frictions of solids
Authors: Xie Mingyu , Li Faxin
Published: February 2022

Strain amplitude dependent effects of materials/structures are very important in the field of material science and engineering and have been found to be extremely sensitive to defects or damage. In this work, a nonlinear electromechanical impedance spectroscopy (N-EMIS) technique is proposed to characterize the amplitude dependent internal frictions (ADIFs) and modulus defects (or resonance shift) of materials. First, a new experimental scheme called the on/off parallel resistor capacitor circuit is proposed to measure the N-EMIS of a piezoelectric transducer (PZT)–specimen composite system under high driving levels. Second, based on the N-EMIS, the formulas for calculating the ADIF are derived and validated by vibration measurement using a laser vibrometer. To further enlarge the strain amplitude, a PZT-stepped horn–specimen three-component system is then introduced, with which the maximum strain amplitude can reach 10−3. Finally, ADIF tests are conducted on polycrystalline pure copper and 1045-steel. The results show that at high strain levels, the internal frictions of both materials can reach several times than those at low driving levels, while the modulus drops only slightly. The proposed N-EMIS technique can effectively assess the strain amplitude dependent properties of materials and is expected to be widely used in the near future for evaluation of plasticity, fatigue, and damage.
Targeting ectromelia virus and TNF/NF-κB or STAT3 signaling for effective treatment of viral pneumonia
Authors: Pandey Pratikshya , Al Rumaih Zahrah , Kels Ma. Junaliah Tuazon , Ng Esther , Kc Rajendra , Chaudhri Geeta , Karupiah Gunasegaran
Published: February 2022

Significance

Antivirals are ineffective in treating viral pneumonia if administered after 48 h post onset of disease symptoms. Lung pathology during respiratory viral infections is triggered by the host inflammatory response and tissue damage caused by replicating virus. Therefore, targeting both virus and inflammation would be more effective in treating pneumonia. Simultaneous treatment with an anti-inflammatory drug targeting TNF or STAT3 combined with an antiviral drug significantly improved clinical disease, reduced lung viral load and pathology and protected mice from severe pneumonia caused by respiratory ectromelia virus infection. The combined treatment suppressed multiple proinflammatory cytokines and cytokine-signaling pathways, including NF-κB and STAT3. Late after onset of symptoms, antiviral treatment alone cannot ameliorate viral pneumonia, as it cannot reduce inflammation effectively.
Definition of a mouse microglial subset that regulates neuronal development and proinflammatory responses in the brain
Authors: Shen Xianli , Qiu Yiguo , Wight Andrew E. , Kim Hye-Jung , Cantor Harvey
Published: February 2022

Significance

CD11c+microglia enriched for osteopontin (OPN) expression appear at distinct stages of brain development, aging, and several neurodegenerative disorders. Whether coexpression of CD11c and OPN results from microglial activation or represents a part of a subset-specific genetic program is unknown. We find that this CD11c+microglial subset is formed before birth upon uptake of apoptotic neurons. Our analysis also suggests that it represents a stable subset that requires OPN to mediate engulfment of synaptic proteins, proliferate, and develop a proinflammatory phenotype. Definition of OPN-producing CD11c+microglia as a specialized microglial subset provides insight into the contribution of microglial differentiation to brain development and function in health and disease.
The m
6
A reader YTHDC2 is essential for escape from KSHV SOX-induced RNA decay
Authors: Macveigh-Fierro Daniel , Cicerchia Angelina , Cadorette Ashley , Sharma Vasudha , Muller Mandy
Published: February 2022

Significance

N6-methyladenosine (m
6
A) modifications play important roles in regulating RNA fate, in particular during viral infection. However, it remains unclear whether m
6
A modifications can also act in any antiviral capacity. During Kaposi’s sarcoma–associated herpesvirus infection, while most messenger RNA are degraded by the viral nuclease SOX, a subset of transcripts stringently escape degradation. Our study reveals that one such transcript, interleukin-6, acquires an m
6
A modification during the course of infection, which allows it to recruit the m
6
A reader YTHDC2. We show that this m
6
A modification along with the concomitant recruitment of YTHDC2 is essential to provide protection from SOX-induced decay. This suggests that m
6
A modifications can contribute to the host efforts to regain control of the gene expression environment.
ANKRD24 organizes TRIOBP to reinforce stereocilia insertion points
Authors: Krey Jocelyn F. , Liu Chang , Belyantseva Inna A. , Bateschell Michael , Dumont Rachel A. , Goldsmith Jennifer , Chatterjee Paroma , Morrill Rachel S. , Fedorov Lev M. , Foster Sarah , Kim Jinkyung , Nuttall Alfred L. , Jones Sherri M. , Choi Dongseok , Friedman Thomas B. , Ricci Anthony J. , Zhao Bo , Barr-Gillespie Peter G.
Published: February 2022

The stereocilia rootlet is a key structure in vertebrate hair cells, anchoring stereocilia firmly into the cell’s cuticular plate and protecting them from overstimulation. Using superresolution microscopy, we show that the ankyrin-repeat protein ANKRD24 concentrates at the stereocilia insertion point, forming a ring at the junction between the lower and upper rootlets. Annular ANKRD24 continues into the lower rootlet, where it surrounds and binds TRIOBP-5, which itself bundles rootlet F-actin. TRIOBP-5 is mislocalized in Ankrd24KO/KO hair cells, and ANKRD24 no longer localizes with rootlets in mice lacking TRIOBP-5; exogenous DsRed–TRIOBP-5 restores endogenous ANKRD24 to rootlets in these mice. Ankrd24KO/KO mice show progressive hearing loss and diminished recovery of auditory function after noise damage, as well as increased susceptibility to overstimulation of the hair bundle. We propose that ANKRD24 bridges the apical plasma membrane with the lower rootlet, maintaining a normal distribution of TRIOBP-5. Together with TRIOBP-5, ANKRD24 organizes rootlets to enable hearing with long-term resilience.
Restricted phase space thermodynamics for AdS black holes via holography
Authors: Gao Zeyuan , Zhao Liu
Published: February 2022

A new formalism for thermodynamics of AdS black holes called the restricted phase space thermodynamics (RPST) is proposed. The construction is based on top of Visser’s holographic thermodynamics, but with the AdS radius fixed as a constant. Thus the RPST is free of the (P, V) variables but inherits the central charge and chemical potential as a new pair of conjugate thermodynamic variables. In this formalism, the Euler relation and the Gibbs–Duhem equation hold simultaneously with the first law of black hole thermodynamics, which guarantee the appropriate homogeneous behaviors for the black hole mass and the intensive variables. The formalism is checked in detail in the example case of four-dimensional Reissner–Nordström anti-de Sitter black hole in Einstein–Maxwell theory, in which some interesting thermodynamic behaviors are revealed.
Schrödinger’s equation from Snell’s law
Authors: Lima Nathan , Karam Ricardo
Published: February 2022

A new derivation of Schrödinger’s equation is presented, based on Schrödinger’s original discussions on refraction and the optical-mechanical analogy, but adopting a much simpler formalism: Newtonian mechanics and some basic elements of classical wave theory (such as Snell’s law). We compare how particles and waves refract and show that the ‘law of particle refraction’ and the ‘law of wave refraction’ may become consistent if one assumes that a particle can be represented by a wave group. In this case, the differential equation whose solutions represent the waves forming such wave group is the Schrödinger equation. Due to the simplicity of the adopted mathematical formalism, we argue that this derivation can be used in quantum mechanics courses at introductory level to give students an idea of Schrödinger’s original path to his wave equation.