bluuebunny/crossref_metadata_2025 huggingface dataset:
Resolving the 21st century temperature trends of the upper troposphere–lower stratosphere with satellite observations
Authors: Ladstädter Florian , Steiner Andrea K. , Gleisner Hans
Published: January 2023

Historically, observational information about atmospheric temperature has been limited due to a lack of suitable measurements. Recent advances in satellite observations provide new insight into the fine structure of the free atmosphere, with the upper troposphere and lower stratosphere comprising essential components of the climate system. This is a prerequisite for understanding the complex processes of this part of the atmosphere, which is also known to have a large impact on surface climate. With unprecedented resolution, latest climate observations reveal a dramatic warming of the atmosphere. The tropical upper troposphere has already warmed about 1 K during the first two decades of the 21st century. The tropospheric warming extends into the lower stratosphere in the tropics and southern hemisphere mid-latitudes, forming a prominent hemispheric asymmetry in the temperature trend structure. Together with seasonal trend patterns in the stratosphere, this indicates a possible change in stratospheric circulation.
Exponentially index modulated nanophotonic resonator for high-performance sensing applications
Authors: Dash Diptimayee , Saini Jasmine , Goyal Amit Kumar , Massoud Yehia
Published: January 2023

In this manuscript, a novel photonic crystal resonator (PhCR) structure having an exponentially graded refractive index profile is proposed to regulate and alter the dispersion characteristics for the first time. The structure comprises silicon material, where porosity is deliberately introduced to modulate the refractive index profile locally. The structural parameters are optimized to have a resonant wavelength of 1550 nm. Further, the impact of various parameters like incidence angle, defect layer thickness, and analyte infiltration on device performance is evaluated. Finally, the sensing capability of the proposed structure is compared with the conventional step index-based devices. The proposed structure exhibits an average sensitivity of 54.16 nm/RIU and 500.12 nm/RIU for step index and exponentially graded index structures. This exhibits the generation of a lower energy resonating mode having 825% higher sensitivity than conventional resonator structures. Moreover, the graded index structures show a 45% higher field confinement than the conventional PhCR structure.
Reduction of amputations of frostbitten limbs by treatment using microwave rewarming
Authors: Dunaevskiy Grigory , Gavrilin Eugene , Pomytkin Alexander , Sorokin Roman , Kuznetsov Artem , Antipov Vladimir , Nechaev Aleksander
Published: January 2023

Drug treatment of limb frostbite injuries is complicated due to the poor delivery of medications to affected tissues. External rewarming of the frostbitten area is risky and does not always result in positive outcomes because the dilatation of superficial vessels with constricted deep vessels can lead to irreversible damage, necrosis, and amputation. One of the techniques to restore perfusion of deep vessels in an affected extremity is rewarming with low-power microwave radiation in a specially designed metal chamber. Below are findings following treatment of 14 volunteers with this technique in 2 Tomsk hospitals during winters of 2018–2021. It is demonstrated that timely, i.e. in the early reactive period, application of microwave radiation and appropriate supportive drug treatment results in positive amputation-free outcomes. The key requirement is prompt thermal insulation of the trauma and no prior exposure to external heat sources.
Decoupled alkaline water electrolysis by a K0.5MnO2-Ti mediator via K-ion insertion/extraction
Authors: Zheng Xuewen , Lv Fei , Liu Xuan , Zheng Zhihao , Chen Yubin
Published: January 2023

A decoupled water electrolyzer was constructed by introducing potassium ion battery material Ti-doped K0.5MnO2 as the redox mediator.
A nitrogen-doped carbon nanotube confined CuCo nanoalloy catalyzing one-pot conversion of levulinic acid to 1,4-pentanediol
Authors: Wei Yan , Lu Jingjing , Zhang Shuxian , Wu Chengming , Nong Xiaoyao , Li Jifan , Liu Chun-Ling , Dong Wen-Sheng
Published: January 2023

Nitrogen-doped carbon nanotube confined CuCo nanoalloy effectively catalyzing one-pot selective hydrogenation of levulinic acid to 1,4-pentanediol.
Optothermal rotation of micro-/nano-objects
Authors: Ding Hongru , Chen Zhihan , Ponce Carolina , Zheng Yuebing
Published: January 2023

Stemming from distinct thermal phenomena, heat-mediated optical rotation of tiny objects is stimulating advances in a wide range of fields, including single-cell mechanics, 3D bio-imaging, and micro/nanomotors.
Influence of non-covalent interactions on the coordination geometry of Ni(ii) in Ni(ii)–M(ii) complexes (M = Zn and Hg) with a salen-type N2O2 Schiff base ligand and thiocyanate ion as the coligand
Authors: Das Lakshmi Kanta , Bhunia Pradip , Gomila Rosa M. , Frontera Antonio , Ghosh Ashutosh
Published: January 2023

The effect of non-covalent interactions on the coordination geometry of Ni(ii) in a Ni(ii)–Zn(ii) and a Ni(ii)–Hg(ii) complexes has been studied using DFT calculations.
Fe3GaTe2/MoSe2 ferromagnet/semiconductor 2D van der Waals heterojunction for room-temperature spin-valve devices
Authors: Yin Hongfei , Zhang Pengzhen , Jin Wen , Di Boyuan , Wu Hao , Zhang Gaojie , Zhang Wenfeng , Chang Haixin
Published: January 2023

A 2D room-temperature, ferromagnetic crystal based 2D vdW Fe3GaTe2/MoSe2/Fe3GaTe2 ferromagnet/semiconductor 2D van der Waals heterojunction is realized with a magnetoresistance of 3.7% at room temperature and 37.7% at 2 K under 10 nA working current.
Ion-neutral clustering alters gas-phase hydrogen–deuterium exchange rates
Authors: Schramm Haley M. , Tamadate Tomoya , Hogan Christopher J. , Clowers Brian H.
Published: January 2023

Simultaneous gas-phase hydrogen/deuterium exchange and ion-neutral clustering are monitored in an atmospheric pressure drift cell to quantify the effects of vapor association on observed rates of deuterium incorporation for select amino acids.
Monolayer α-beryllene as an anode material for magnesium ion batteries with high capacity and low diffusion energy barrier
Authors: Gao Qiang , Ye Xiao-Juan , Liu Chun-Sheng
Published: January 2023

The outstanding properties such as fast ionic mobility, high theoretical specific capacity and tiny volume change make α-beryllene a promising anode material for magnesium ion batteries.
Magnetic anisotropy and structural flexibility in the field-induced single ion magnets [Co{(OPPh2)(EPPh2)N}2], E = S, Se, explored by experimental and computational methods
Authors: Ferentinos Eleftherios , Tzeli Demeter , Sottini Silvia , Groenen Edgar J. J. , Ozerov Mykhaylo , Poneti Giordano , Kaniewska-Laskowska Kinga , Krzystek J. , Kyritsis Panayotis
Published: January 2023

The electronic and magnetic properties of the tetrahedral Co(ii) complexes [Co{(OPPh2)(EPPh2)N}2], E = S, Se, are explored by experimental and computational methods, and discussed with respect to their structural features.
Toxicological data bank bridges the gap between environmental risk assessment and green organic chemical design in One Health world
Authors: Shi Xing-Xing , Wang Zhi-Zheng , Sun Xin-Lin , Wang Yu-Liang , Liu Huan-Xiang , Wang Fan , Hao Ge-Fei , Yang Guang-Fu
Published: January 2023

This review aims to introduce the rich applications of chemical toxicological data for environmental risk assessment and green chemical design by illustrating referable examples or cases. Further, we present a comprehensive toxicology databank.
Highly sensitive determination of arsenic in water samples by hydrogen-doped solution anode glow discharge-optical emission spectrometry
Authors: Liu Ying , Yang Chun , Xing Peng-Ju , Liu Xing , Liu Jin-Zhao , Zhu Zhen-Li
Published: January 2023

In this work, a new method based on hydrogen-doped solution anode glow discharge optical emission spectrometry (SAGD-OES) was developed for the direct detection of trace As in water samples.
Modular polyketide synthase-derived insecticidal agents: from biosynthesis and metabolic engineering to combinatorial biosynthesis for their production
Authors: Yi Jeong Sang , Kim Jung Min , Ban Yeon Hee , Yoon Yeo Joon
Published: January 2023

This highlight covers the recent advances in the metabolic engineering and combinatorial biosynthesis of insecticidal agents produced by modular type I PKSs from actinomycete.
Molecular relays in nanometer-scale alumina: effective encapsulation for water-submersed halide perovskite photocathodes
Authors: Harari Yuval , Pathak Chandra Shakher , Edri Eran
Published: January 2023

Four nanometers of alumina is sufficient to prevent water ingression into a halide perovskite photoelectrode. Embedding ‘molecular relays’ that transverse the alumina enables photoelectrocatalysis in water.
Langmuir and Langmuir–Blodgett technologies as nanoarchitectonic tools for the incorporation of curcumin in membrane systems
Authors: Dotor Laura , García-Pinilla José Miguel , Martín Santiago , Cea Pilar
Published: January 2023

Thermodynamic studies of Langmuir model cell membranes oriented to the rational design of lipid formulations.
Enhancing the oxygen reduction activity by constructing nanocluster-scaled Fe2O3/Cu interfaces
Authors: Xie Qianjie , Pan Meiling , Wang Zheng , Si Wenfang , Zhang Ruiyi , Shu Yu , Sun Guodong , Jing Qun , Shen Yehua , Uyama Hiroshi
Published: January 2023

An atomic-scaled Fe2O3/Cu interface loaded catalyst has been prepared for oxygen reduction reaction. The interfaces efficiently modulated the electronic structure to endow the Cu atoms with slight positive charge, which is also active for the ORR.
Perspectives on oxide heterostructures – the curious case of γ-Al2O3/SrTiO3
Authors: Christensen Dennis Valbjørn
Published: January 2023

The γ-Al2O3/SrTiO3 heterostructure has emerged as a multifunctional material system. Here, I review the highlights and propose five future directions.
Soft robot-enabled controlled release of oral drug formulations
Authors: Huang Hao , Lyu Yidan , Nan Kewang
Published: January 2023

The creation of highly effective oral drug delivery systems (ODDSs) has long been the main objective of pharmaceutical research.
Air stable highly luminescent 2D tin halide perovskite nanocrystals as photodetectors
Authors: Ghosh Sukanya , Kumar Jitendra , Nim Gaurav Kumar , Bag Monojit , Kar Prasenjit
Published: January 2023

The schematic representation of synthesis and application of luminescent 2D tin halide perovskite nanocrystals.
Aqueous micellar technology: an alternative beyond organic solvents
Authors: Hedouin Gaspard , Ogulu Deborah , Kaur Gaganpreet , Handa Sachin
Published: January 2023

Solvents are the major source of chemical waste from synthetic chemistry labs.
Carrier density tuning in CuS nanoparticles and thin films by Zn doping via ion exchange
Authors: Shukla Amaresh , Shao Shouqi , Carter-Searjeant Sadie , Haigh Sarah , Richards David , Green Mark , Zayats Anatoly V.
Published: January 2023

In this report, we describe a synthesis of tuneable plasmonic copper sulfide nanoparticles and described their structures and the origin of the surface plasmon.
An experimental study of the effects of key operating parameters on the molten carbonate fuel cell performance
Authors: Lu Ziyi , Zhang Hanfei , Duan Liqiang , Wang Qiushi , Zhang Ruiyun , Lu Chengzhuang
Published: January 2023

Proper selection of the operating conditions of molten carbonate fuel cells (MCFCs) can not only effectively improve the efficiency of power generation, but also reduce carbon emissions and help achieve the great goal of “carbon neutrality”.
Parental Reports on the Auditory Performance of Children With Normal Hearing and Children With Hearing Loss via the Hebrew Adaptation of the Parents' Evaluation of Aural/Oral Performance of Children Scale
Authors: Ben-Itzhak Drorit , Adi-Bensaid Limor
Published: January 2023

Purpose:

The aims of this study were to adapt the Parents' Evaluation of Aural/Oral Performance of Children (PEACH) scale into Hebrew, to explore the auditory performance of children with normal hearing (NH) or hearing loss (HL), to examine changes with age, and to investigate the effect of descriptive variables on the performance of children with HL.

Method:

The PEACH scale was adapted into Hebrew using the “back-translation” method. The study included 260 parents of children with NH and 32 parents of children with HL. Children were between 9 and 72 months old. Inclusion criteria for children with HL are as follows: bilateral, congenital, or moderate–severe to profound sensorineural HL using bilateral sensory devices. Parents evaluated their child's auditory performance in real-life situations using the PEACH scale.

Results:

A Cronbach's alpha analysis (
N
= 292) scored medium-to-high values: α = .86, α = .74, and α = .78 for the entire scale and in quiet and noisy situations, respectively. Noise affected the auditory performance of both groups, with the effect being more pronounced than the hearing status, although it was more prominent in children with HL. The auditory performance of children with NH improved rapidly up to 18 months of age and then progressed more gradually to reach a plateau of 85% at 36 months of age. Chronological age contributed to auditory performance over the entire scale and in quiet situations for children with NH, whereas maternal education contributed to auditory performance in quiet situations for children with HL.

Conclusion:

The Hebrew version of the PEACH scale provides a useful tool for evaluating the auditory performance of young children, although it is influenced by cultural differences beyond 36 months of age.
SOLIS
Authors: Lattanzi V. , Alves F. O. , Padovani M. , Fontani F. , Caselli P. , Ceccarelli C. , López-Sepulcre A. , Favre C. , Neri R. , Chahine L. , Vastel C. , Evans L.
Published: January 2023

Context. The study of the early phases of star and planet formation is important to understand the physical and chemical history of stellar systems such as our own. In particular, protostars born in rich clusters are prototypes of the young Solar System.

Aims. In the framework of the Seeds Of Life In Space (SOLIS) large observational project, the aim of the present work is to investigate the origin of the previously inferred high flux of energetic particles in the protocluster FIR4 of the Orion Molecular Cloud 2 (OMC-2), which appears asymmetric within the protocluster itself.

Methods. Interferometric observations carried out with the IRAM NOEMA interferometer were used to map the silicon monoxide (SiO) emission around the FIR4 protocluster. Complementary archival data from the ALMA interferometer were also employed to help constrain excitation conditions. A physical-chemical model was implemented to characterise the particle acceleration along the protostellar jet candidate, along with a non-LTE analysis of the SiO emission along the jet.

Results. The emission morphology of the SiO rotational transitions hints for the first time at the presence of a collimated jet originating very close to the brightest protostar in the cluster, HOPS-108.

Conclusions. The NOEMA observations unveiled a possible jet in the OMC-2 FIR4 protocluster propagating towards a previously measured enhanced cosmic-ray ionisation rate. This suggests that energetic particle acceleration by the jet shock close to the protostar might be at the origin of the enhanced cosmic-ray ionisation rate, as confirmed by modelling the protostellar jet.
Corrosion sous contrainte, retour sur une année inédite
Authors: Dupin Ludovic , de l’Épinois Bertrand
Published: January 2023

Fin 2021, EDF découvrait une anomalie inattendue sur certains réacteurs du parc. En un temps record, grâce à une mobilisation technique massive, les experts ont su caractériser le phénomène de corrosion sous contrainte, en définir l’origine, proposer et mettre en oeuvre un moyen de réparation et développer un outil de contrôle non destructif adapté.
Protéger, réparer : la doctrine française après un accident nucléaire
Authors: Bertho Jean-Marc , Rivière Olivier
Published: January 2023

Au-delà du renforcement des installations nucléaires, l’accident de Fukushima a rappelé la nécessité de rehausser le niveau de préparation à la gestion d’une crise nucléaire. Les principales dispositions de gestion accidentelles et post-accidentelles retenues en France sont pensées pour protéger la population et permettre le redémarrage de la vie économique et sociale.
Dans le rétro : les principales approches de sûreté
Authors: Roger Mathias , Mangeon Michaël , Martinais Emmanuel
Published: January 2023

Le développement du nucléaire, tant civil que militaire, s’est accompagné dès l’origine d’une réflexion poussée sur la maîtrise des risques. Dès 1958, les représentants américains et anglais sont en mesure de présenter une démarche formalisée en matière de sûreté nucléaire. Leurs deux démarches, déterministe et probabiliste, font encore référence aujourd’hui.
Copingstrategien und Stimme – Einfluss von Stressbewältigungsstrategien auf stimmliche Missempfindungen und die stimmbezogene Lebensqualität bei Patient*innen mit Dysphonien
Authors: Collasius Valerie , Krämer Judith , Müller Christin , Schäfer Axel , Wittmar Silke , Beushausen Ulla
Published: January 2023

Strategien zur Stressbewältigung (Coping) sind für die Rehabilitation von Stimmpatient*innen von großer Bedeutung. Es fehlen jedoch aktuelle Evidenzen, die Zusammenhänge zwischen Copingstrategien und Dysphonien ausreichend belegen. Mithilfe einer Online-Befragung wurden erwachsene Stimmpatient*innen zum Grad der stimmlichen Missempfindung mittels der deutschen Fassung der Vocal Tract Discomfort Scale (VTD), der stimmbezogenen Lebensqualität mit dem Voice-Related Quality of Life-Fragebogen (VRQOL) und ihrem Umgang mit Stresssituationen im Coping-Inventar zum Umgang mit Stress-Situationen (CISS) befragt.

Es lagen 72 gültige Fragebögen vor. Signifikante Korrelationen bestanden zwischen Aussagen, die mit maladaptivem Coping assoziiert sind und Werten der VTD bzw. des VRQOL. In Regressionsanalysen konnten maladaptive Copingstrategien als Prädiktor für den Grad der stimmlichen Missempfindung identifiziert werden. In der Stimmtherapie sollte zukünftig berücksichtigt werden, welche Rolle maladaptives Coping im individuellen Fall spielt.
Impact of Tyrosine Kinase Inhibitors Applied for First-Line Chronic Myeloid Leukemia Treatment on Platelet Function in Whole Blood of Healthy Volunteers In Vitro
Authors: Eckart Falk , Tauer Josephine T. , Suttorp Meinolf , Knöfler Ralf
Published: January 2023

The tyrosine kinase inhibitors (TKIs) imatinib, dasatinib, bosutinib, and nilotinib are established for first-line treatment of chronic myeloid leukemia (CML) but may cause side effects such as bleeding and thrombotic complications. We investigated the impact of TKIs on platelet function ex vivo in anticoagulated whole blood (WB) samples from healthy adults by lumiaggregometry and PFA-100 test. Samples (n = 15 per TKI) were incubated for 30 minutes with TKI at therapeutically relevant final concentrations. Aggregation and ATP release were induced by collagen (1 µg/mL), arachidonic acid (0.5 mmol/L), and thrombin (0.5 U/mL). Imatinib, bosutinib, and nilotinib significantly increased collagen-induced aggregation compared with controls. In addition, for bosutinib and nilotinib, a significant increase in aggregation after induction with arachidonic acid was detected. ATP-release and PFA-100 closure times were not influenced significantly by these three TKI. In contrast, dasatinib demonstrated a concentration-dependent inhibition of collagen-induced aggregation and ATP release and a significant prolongation of the PFA-100 closure time with the collagen/epinephrine cartridge. Aggregation and ATP release by other agonists as well as closure time with the collagen/ADP cartridge were not influenced significantly. In conclusion, we clearly show a concentration-dependent inhibition of collagen-induced platelet function in WB by dasatinib confirming prior results obtained in platelet-rich plasma. Bosutinib and nilotinib exerted no impairment of platelet activation. On the contrary, both TKI showed signs of platelet activation. When comparing our results with existing data, imatinib in therapeutic relevant concentrations does not impair platelet function.
Katatonie im Wandel der Zeit – von Kahlbaum bis zum
ICD-11
Authors: Walther Sebastian , Weiss Florian
Published: January 2023

Das psychomotorische Syndrom der Katatonie galt über Jahrzehnte
ausschließlich als Subtyp der Schizophrenie. Der Einsatz von
Antipsychotika und Veränderungen der Lehrinhalte in der Weiterbildung
von Psychiatern führten dazu, dass Katatonien kaum noch erkannt wurden.
Dabei ist die Katatonie prinzipiell gut behandelbar. Der neue Status in der
ICD-11 ermöglicht uns wahrscheinlich, die Katatonie künftig
besser zu lehren, zu erkennen und zu behandeln.
Frühgeborenes mit Makroglossie und persistierender
Hypoglykämie – Beckwith-Wiedemann-Syndrom
Authors: Ulrich Victoria , Rullkötter Pia , Rahn Alexandros
Published: January 2023

Das Beckwith-Wiedemann-Syndrom (BWS) ist eine genetische Erkrankung mit variablem
Phänotyp, die sich mit folgenden Leitsymptomen darstellen kann:
Makroglossie, Asymmetrie der Extremitäten, einseitiger Gigantismus,
Vergrößerung der inneren Organe, Bauchwanddefekte, neonatale
Hypoglykämie sowie einem erhöhten Risiko für embryonale
Tumore. Die Prävalenz des Syndroms wird mit circa 1 von 10.000 bis 1 von
21.000 Lebendgeburten angegeben. Es beruht auf molekularen Veränderungen
der Gencluster auf dem kurzen Arm von Chromosom 11, Bande P15.5. Wir stellen ein
frühgeborenes Mädchen aus 32 0/7 Schwangerschaftswochen
(SSW) vor. Postnatal wurde eine UPD(11)pat-Mutation diagnostiziert und damit das
BWS genetisch gesichert. Die Besonderheit ihres Falls beruht auf der
frühen Notwendigkeit der Zungenreduktionsplastik bei
Trinkschwierigkeiten und Atemstörung sowie lang bestehenden, schwer
einstellbaren Hypoglykämien.
Research Advances in Electrochemical Synthesis of Spirocyclic Skeleton Compounds
Authors: He Mu-Xue , Pan Ying-Ming , Wang Qian , Liu Han-Fu , Ren Sai-Yan
Published: January 2023

Spirocyclic compounds have attracted the interest of synthetic chemists because of their unique ring systems and utility in drug discovery. Many natural compounds containing spirocyclic moieties in their skeleton are effective pharmaceuticals. For many redox processes, electroorganic synthesis is considered an environmentally friendly method, since the use of reagents with significant toxicity is replaced by electric current, so the amount of waste is often greatly reduced. Therefore, this review summarizes the construction of compounds with a spirocyclic skeleton via electrochemical synthesis strategies since 2000.

1 Introduction

2 Electrochemically Mediated Synthesis of Spirocyclopropanes

3 Electrochemically Mediated Synthesis of Spirooxindoles

4 Electrochemically Mediated Synthesis of Spirodienones

5 Electrochemically Mediated Synthesis of Other Heterospirocycles

6 Conclusion
Glucometabolic Perturbations in Type 2 Diabetes Mellitus and
Coronavirus Disease 2019: Causes, Consequences, and How to Counter Them Using
Novel Antidiabetic Drugs – The CAPISCO International Expert
Panel
Authors: Popovic Djordje S. , Papanas Nikolaos , Koufakis Theocharis , Kotsa Kalliopi , Mahmeed Wael Al , Al-Rasadi Khalid , Al-Alawi Kamila , Banach Maciej , Banerjee Yajnavalka , Ceriello Antonio , Cesur Mustafa , Cosentino Francesco , Firenze Alberto , Galia Massimo , Goh Su-Yen , Janez Andrej , Kalra Sanjay , Kempler Peter , Kapoor Nitin , Lessan Nader , Lotufo Paulo , Rizvi Ali A. , Sahebkar Amirhossein , Santos Raul D. , Stoian Anca Pantea , Toth Peter P. , Viswanathan Vijay , Rizzo Manfredi
Published: January 2023

The growing amount of evidence suggests the existence of a bidirectional relation
between coronavirus disease 2019 (COVID-19) and type 2 diabetes mellitus (T2DM),
as these two conditions exacerbate each other, causing a significant healthcare
and socioeconomic burden. The alterations in innate and adaptive cellular
immunity, adipose tissue, alveolar and endothelial dysfunction,
hypercoagulation, the propensity to an increased viral load, and chronic
diabetic complications are all associated with glucometabolic perturbations of
T2DM patients that predispose them to severe forms of COVID-19 and mortality.
Severe acute respiratory syndrome coronavirus 2 infection negatively impacts
glucose homeostasis due to its effects on insulin sensitivity and β-cell
function, further aggravating the preexisting glucometabolic perturbations in
individuals with T2DM. Thus, the most effective ways are urgently needed for
countering these glucometabolic disturbances occurring during acute COVID-19
illness in T2DM patients. The novel classes of antidiabetic medications
(dipeptidyl peptidase 4 inhibitors (DPP-4is), glucagon-like peptide-1 receptor
agonists (GLP-1 RAs), and sodium-glucose co-transporter-2 inhibitors (SGLT-2is)
are considered candidate drugs for this purpose. This review article summarizes
current knowledge regarding glucometabolic disturbances during acute COVID-19
illness in T2DM patients and the potential ways to tackle them using novel
antidiabetic medications. Recent observational data suggest that preadmission
use of GLP-1 RAs and SGLT-2is are associated with decreased patient mortality,
while DPP-4is is associated with increased in-hospital mortality of T2DM
patients with COVID-19. Although these results provide further evidence for the
widespread use of these two classes of medications in this COVID-19 era,
dedicated randomized controlled trials analyzing the effects of in-hospital use
of novel antidiabetic agents in T2DM patients with COVID-19 are needed.
Photocatalytic Defluoroalkylation of Trifluoroacetates with Alkenes using 4-(Acetamido)thiophenol
Authors: Shang Rui , Liu Can , Shen Ni
Published: January 2023

Under mild irradiation conditions using violet light-emitting diodes, a catalytic amount of a thiolate of N-(4-mercaptophenyl)pivalamide promotes monoselective defluoroalkylation of trifluoroacetates with a variety of aliphatic alkenes in the presence of a formate salt. The reactions allow facile and low-cost synthesis of valuable α,α-difluoro substituted aliphatic carboxylate esters under mild conditions, and demonstrate the dual-functional role of arenethiolates in photocatalysis as both a strong photoreductant in a redox cycle and a hydrogen-atom-transfer catalyst.
The Influence of the Microbiome on Metastatic Colorectal Cancer
Authors: Cass Samuel , White Michael G.
Published: January 2023

The microbiome (bacteria, viruses, and fungi) that exist within a patient's gastrointestinal tract and throughout their body have been increasingly understood to play a critical role in a variety of disease, including a number of cancer histologies. These microbial colonies are reflective of a patient's overall health state, their exposome, and germline genetics. In the case of colorectal adenocarcinoma, significant progress has been made in understanding the mechanism the microbiome plays beyond mere associations in both disease initiation and progression. Importantly, this improved understanding holds the potential to further identify the role these microbes play in colorectal cancer. We hope this improved understanding will be able to be leveraged in the future through either biomarkers or next-generation therapeutics to augment contemporary treatment algorithms through the manipulation of a patient's microbiome—whether through diet, antibiotics, prebiotics, or novel therapeutics. Here we review the role of the microbiome in the setting of patients with stage IV colorectal adenocarcinoma in both the development and progression or disease as well as response to therapeutics.
Quasi-periodic solutions for one dimensional Schrödinger equation with quasi-periodic forcing and Dirichlet boundary condition
Authors: Zhang Min , Wang Yi , Rui Jie
Published: January 2023

This paper is concerned with a one-dimensional quasi-periodically forced nonlinear Schrödinger equation under Dirichlet boundary conditions. The existence of the quasi-periodic solutions for the equation is verified. By infinitely many symplectic transformations of coordinates, the Hamiltonian of the linear part of the equation can be reduced to an autonomous system. By utilizing the measure estimation of small divisors, there exists a symplectic change of coordinate transformation of the Hamiltonian of the equation into a nice Birkhoff normal form. By an abstract KAM (Kolmogorov-Arnold-Moser) theorem, the existence of a class of small-amplitude quasi-periodic solutions for the above equation is verified.
Determination of minimum-cost synthetic mooring systems for large floating wind turbines deployed in intermediate water depths
Authors: West William M. , Goupee Andrew J. , Hallowell Spencer T. , Viselli Anthony M.
Published: January 2023

As the wind industry develops larger turbines for offshore deployment, the problems with station keeping systems are exacerbated. As turbines increase in size, so do the loads on the turbine. Meanwhile, many offshore sites available for leasing occur in intermediate water depths (55–85 m), which will appear ever smaller relative to the increasing platform size of floating offshore wind turbines. This complicates the process of designing mooring systems for these larger systems and emphasizes the importance of having a good methodology for automating this process. In this paper, a routine is developed that will map objectives for a multi-objective genetic algorithm to obtain mooring radius-lowest cost designs over a range of radii simultaneously. This work will implement and expand on a tiered-constraint evaluation scheme that was developed in the previous work by West et al. [Modelling 2, 728–752 (2021)]. New components and constraints are added to the optimization problem to allow the optimizer to find realistically deployable designs with reasonably accurate cost estimates. These techniques will then be used to find the most economic mooring designs for a 15-MW floating offshore wind turbine with a hybrid mooring system.
Effects of anisotropy, morphology, and interparticle coupling on the far-infrared optical modes of randomly oriented ZnO nanoparticles
Authors: Khan I. , Howell C. , McGinnity T. L. , Li L. , Roeder R. K. , Hoffman A. J.
Published: January 2023

Polar dielectric nanoparticles (NPs) with uniaxial anisotropy support two-surface phonon polariton modes inside a reststrahlen band. The effective permittivity of a randomly orientated ensemble of NPs is usually assumed to be isotropic due to averaging of the optical response over all orientations. In this work, we demonstrate that this assumption is not valid for ZnO nanoparticles, and the resultant absorption of a nanoparticle film can be tailored by the nanoparticle morphology. We measure distinct features in the absorption spectrum for films or ensembles of interacting polar dielectric NPs, which we attribute to the excitation of SPhP modes due to anisotropy in the dielectric permittivity of the NPs. We identify and characterize these modes in elliptical and rod-like ZnO NPs prepared by solvothermal synthesis and dispersed within an optically transparent matrix. Localized optical modes are identified using Fourier transform infrared absorption spectroscopy and confirmed by finite element simulations. The broadening and maxima of the modes are shown to be governed by the effects of anisotropy, nanoparticle morphology, and interparticle coupling within nanoparticle ensembles.
Intermodal excitation in time-varying plasmonic structures
Authors: Rafi R. S. , Fardad S. , Salandrino A.
Published: January 2023

Space and time-varying electromagnetic structures give access to regimes of operation and effects that ordinarily do not occur in their time-invariant counterparts due to modal orthogonality constraints. Here, we present the theory of intermodal energy transfer in time-varying plasmonic structures. After identifying a suitable physical mechanism of permittivity modulation, we introduce an appropriate time-domain formalism to study the evolution of the dielectric polarization density in the system. Using a perturbative approach, we obtain closed-form solutions describing the intermodal energy transfer between a directly excited dipolar mode and a higher order subradiant mode. We further show that the modal amplitudes reach a steady state and determine the optimal modulation conditions that maximize the amplitude of the high-order mode. Finally, we identify a coherent control strategy to enhance the conversion efficiency to higher order modes.
Reparameterization of the chemical-potential equalization model with DFTB3: A practical balance between accuracy and transferability
Authors: Vuong Van-Quan , Cui Qiang
Published: January 2023

To improve the performance of the third-order density-functional tight-binding method (DFTB3) for non-covalent interactions involving organic and biological molecules, a chemical-potential equalization (CPE) approach was introduced [J. Phys. Chem. A, 116, 9131 (2012)] and parameterized for the H, C, N, O, and S chemical elements [J. Chem. Phys., 143, 084123 (2015)]. Based largely on equilibrium structures, the parameterized DFTB3/CPE models were shown to exhibit improvements in molecular polarizabilities and intermolecular interactions. With more extensive analyses, however, we observe here that the available DFTB3/CPE models have two critical limitations: (1) they lead to sharply varying potential energy surfaces, thus causing numerical instability in molecular dynamics (MD) simulations, and (2) they lead to spurious interactions at short distances for some dimer complexes. These shortcomings are attributed to the employed screening functions and the overfitting of CPE parameters. In this work, we introduce a new strategy to simplify the parameterization procedure and significantly reduce free parameters down to four global (i.e., independent of element type) ones. With this strategy, two new models, DFTB3/CPE(r) and DFTB3/CPE(r†) are parameterized. The new models lead to smooth potential energy surfaces, stable MD simulations, and alleviate the spurious interactions at short distances, thus representing consistent improvements for both neutral and ionic hydrogen bonds.
Shedding light on the metal-phthalocyanine EXAFS spectra through classical and ab initio molecular dynamics
Authors: Raposo-Hernández Gema , Sánchez Marcos Enrique , Pappalardo Rafael R. , Martínez José M.
Published: January 2023

Extended X-Ray Absorption Fine Structure (EXAFS) theoretical spectra for some 3d transition metal-phthalocyanines–FePc, NiPc, CuPc, and ZnPc-are presented. Their complexity and rigidity make them a good testbed for the development of theoretical strategies that can complement the difficulties present in the experimental spectrum fitting. Classical and ab initio molecular dynamics trajectories are generated and employed as a source of structural information to compute average spectra for each MPc species. The original ZnPc force field employed in the classical molecular dynamics simulations has been modified in order to improve the agreement with the experimental EXAFS spectrum, and the modification strategy–based on MP2 optimized structures–being extended to the rest of MPcs. Both types of trajectories, classical and ab initio, provide very similar results, showing in all cases the main features present in the experimental spectra despite the different simulation timescales employed. Spectroscopical information has been analyzed on the basis of shells and legs contributions, making possible the comparison with the experimental fitting approaches. According to the simulations results, the simple relationships employed in the fitting process to define the dependence of the Debye Waller factors associated with multiple scattering paths with those of single scattering paths are reasonable. However, a lack of multiple backscattering paths contributions is found due to the intrinsic rigidity of the chemical motif (macrocycle). Its consequences in the Debye Waller factors of the fitted contributions are discussed.
Noncontact evaluation of the interface potential in VO2/Si heterojunctions across metal–insulator phase transition
Authors: Yang Dongxun , Murakami Fumikazu , Genchi Shingo , Tanaka Hidekazu , Tonouchi Masayoshi
Published: January 2023

This study conducted laser-induced terahertz emission spectroscopy on a VO2/Si heterojunction. Consequently, rapid estimation of the local interface potential was realized and the work function of VO2 was obtained as 5.17–5.25 eV with increasing temperature from 320 to 380 K. Moreover, an obvious terahertz emission variation was observed across the metal–insulator phase transition of VO2, and the doping conditions of the Si substrate largely influenced the terahertz emission. These results imply a strong relationship between the terahertz emission amplitude and the interface electric field, which supports the rapid performance of terahertz emission spectroscopy in estimating the work function of VO2.
Proton transfer in layered hydrogen-bonded system γ-MOOH (M = Al, Sc): Robust bi-mode ferroelectricity and 1D superionic conductivity
Authors: Ren Yangyang , Gao Yaxin , Zhong Tingting , Wu Menghao , Liu Jun-Ming
Published: January 2023

Layered γ-MOOH, such as synthetic boehmite γ-AlOOH and γ-ScOOH, has been explored for various applications since 1950s. In this paper, based on first-principles calculations, we show the evidence of two proton transfer modes in their hydrogen-bonded network that give rise to extraordinary properties: (1) they, respectively, result in two distinct types of ferroelectricity with different switching mechanisms and polarizations, while the exhibiting mode under an electric field depends on various factors, including the field intensity and direction, the existence of vacancies, and temperature; and (2) the combination of two modes can lead to ultra-high proton conductivity along 1D channels. Their proton migration barriers ensure high ferroelectric Curie temperature, while still much lower compared with current proton conductors, giving rise to 1D superionicity with unprecedented protonic conductivity over 24 mS/cm. Those light weight nontoxic layered materials with high polarizations, Curie temperature, and ultra-high protonic conductivity should provide vast opportunities for various applications.
Low-noise synchronized mid-infrared upconversion spectrometer with a large spectral coverage
Authors: Chen Yu , Cai Yujie , Xin Xiaoning , Wang Xiaoying , Huang Kun , Wu E
Published: January 2023

Mid-infrared (MIR) frequency upconversion presents a powerful tool for MIR photon detection at room temperature. However, the introduction of strong pump light will exacerbate the limitations of upconverted thermal radiation and upconverted parametric fluorescence on detectability in broadband MIR frequency upconversion. Here, a broadband synchronized MIR upconversion spectrometer system based on a step-chirped poled LiNbO3 crystal is demonstrated. This system is integrated with spontaneous parametric downconversion (SPDC) and sum-frequency generation (SFG) to form a broadband MIR light generation and synchronous pulsed upconversion, which are simultaneously driven by the same pulsed pump laser. The spectral coverage is close to 1.4 μm from 2450 to 3850 nm and the resolution of the system is about 4 cm−1 after deconvolution, as confirmed by a Fourier transform infrared spectrometer. In conjunction with synchronous pumping-based temporal gating, the system noise is suppressed to less than 10 counts per second per nm. This broadband synchronized SPDC–SFG configuration can be extended to different infrared wavelengths for low-noise broadband spectroscopic measurement.
The core ionization energies calculated by delta SCF and Slater’s transition state theory
Authors: Hirao Kimihiko , Nakajima Takahito , Chan Bun , Lee Ho-Jin
Published: January 2023

The core ionization energies of the second-period and third-period elements are studied by ΔSCF and Slater’s transition state (STS) theory by using Hartree–Fock (HF) and Kohn–Sham (KS) approximations. Electron correlation increases the estimated core ionization energies, while the self-interaction error (SIE) decreases them, especially for the third-period elements and is a more significant factor. As a result, while HF lacks electron correlation, it is free of SIE and reasonably predicts the core ionization energies. The core ionization energies calculated by HF STS are very close to those calculated by HF ΔSCF, showing that STS reasonably describes the relaxation of the core hole. The core ionization energies calculated by KS are particularly sensitive to the SIE of the functional used, with functionals having less SIE yielding more accurate ΔSCF core ionization energies. Consequently, BH&HLYP gives better results than B3LYP and LC-BOP since BH&HLYP is the hybrid functional with high proportion of the exact HF exchange. Although the core ionization energies are underestimated by ΔSCF due to SIE, STS gives larger core ionization energies than ΔSCF due to a concave behavior of the error curves of STS, which is also related to SIE. The mean absolute deviations of STS relative to ΔSCF, and relative to the experiment, are almost constant regardless of the nuclei among the element in the second period, and likewise among those in the third period. The systematic nature suggests that shifting the STS core ionization energies may be useful. We propose the shifted STS (1) for reproducing ΔSCF values, and the shifted STS (2) to reproduce the observed ones for KS calculations. Both schemes work quite well. The calculated results of KS ΔSCF and STS vary depending on the functional. However, the variation of each species’ shifted STS (2) is very small, and all shifted STS (2) values are close to the observed ones. As the shifted STS require only one SCF calculation, they are simple and practical for predicting the core ionization energies.
Emergence patterns at a non-breeding eastern bent-winged bat (Miniopterus orianae oceanensis) roost in New South Wales
Authors: Lothian Andrew J. , Hoye Glenn A.
Published: January 2023

Eastern bent-winged bats (Miniopterus orianae oceanensis) migrate between breeding roosts and overwintering roosts each year. This project describes microbat exit count patterns across different seasons at a disused oil shale adit (i.e. horizontal mine passage) near Mudgee in New South Wales. We also document adit occupation seasonality for Miniopterus orianae oceanensis and the eastern horseshoe-bat (Rhinolophus megaphyllus). This information can be used to guide survey effort and timing for adit microbat investigations. The majority of bats exited within 50 min of the first exit, which typically occurs between 9 and 27 min after sunset.
The quadrupole moment of compact binaries to the fourth post-Newtonian order: relating the harmonic and radiative metrics
Authors: Trestini David , Larrouturou François , Blanchet Luc
Published: January 2023

Motivated by the completion of the fourth post-Newtonian (4PN) gravitational-wave generation from compact binary systems, we analyse and contrast different constructions of the metric outside an isolated system, using post-Minkowskian (PM) expansions. The metric in ‘harmonic’ coordinates has been investigated previously, in particular to compute tails and memory effects. However, it is plagued by powers of the logarithm of the radial distance r when

r
→
∞

(with

t
−
r

/

c
=

const). As a result, the tedious computation of the ‘tail-of-memory’ effect, which enters the gravitational-wave flux at 4PN order, is more efficiently performed in the so-called ‘radiative’ coordinates, which admit a (Bondi-type) expansion at infinity in simple powers of r
−1, without any logarithms. Here we consider a particular construction, performed order by order in the PM expansion, which directly yields a metric in radiative coordinates. We relate both constructions, and prove that they are physically equivalent as soon as a relation between the ‘canonical’ moments which parametrize the radiative metric, and those parametrizing the harmonic metric, is verified. We provide the appropriate relation for the mass quadrupole moment at 4PN order, which will be crucial when deriving the ‘tail-of-memory’ contribution to the gravitational flux.
Landmark tracking in liver US images using cascade convolutional neural networks with long short-term memory
Authors: Zhang Yupei , Dai Xianjin , Tian Zhen , Lei Yang , Wynne Jacob F , Patel Pretesh , Chen Yue , Liu Tian , Yang Xiaofeng
Published: January 2023

Accurate tracking of anatomic landmarks is critical for motion management in liver radiation therapy. Ultrasound (US) is a safe, low-cost technology that is broadly available and offer real-time imaging capability. This study proposed a deep learning-based tracking method for the US image-guided radiation therapy. The proposed cascade deep learning model is composed of an attention network, a mask region-based convolutional neural network (mask R-CNN), and a long short-term memory (LSTM) network. The attention network learns a mapping from an US image to a suspected area of landmark motion in order to reduce the search region. The mask R-CNN then produces multiple region-of-interest proposals in the reduced region and identifies the proposed landmark via three network heads: bounding box regression, proposal classification, and landmark segmentation. The LSTM network models the temporal relationship among the successive image frames for bounding box regression and proposal classification. To consolidate the final proposal, a selection method is designed according to the similarities between sequential frames. The proposed method was tested on the liver US tracking datasets used in the medical image computing and computer assisted interventions 2015 challenges, where the landmarks were annotated by three experienced observers to obtain their mean positions. Five-fold cross validation on the 24 given US sequences with ground truths shows that the mean tracking error for all landmarks is 0.65 ± 0.56 mm, and the errors of all landmarks are within 2 mm. We further tested the proposed model on 69 landmarks from the testing dataset that have the similar image pattern with the training pattern, resulting in a mean tracking error of 0.94 ± 0.83 mm. The proposed deep-learning model was implemented on a graphics processing unit (GPU), tracking 47–81 frames s−1. Our experimental results have demonstrated the feasibility and accuracy of our proposed method in tracking liver anatomic landmarks using US images, providing a potential solution for real-time liver tracking for active motion management during radiation therapy.
Dynamical Borel–Cantelli lemma for recurrence under Lipschitz twists
Authors: Kleinbock Dmitry , Zheng Jiajie
Published: January 2023

In the study of some dynamical systems the limsup set of a sequence of measurable sets is often of interest. The shrinking targets and recurrence are two of the most commonly studied problems that concern limsup sets. However, the zero–one laws for the shrinking targets and recurrence are usually treated separately and proved differently. In this paper, we introduce a generalized definition that can specialize into the shrinking targets and recurrence; our approach gives a unified proof of the zero–one laws for the two problems.