bluuebunny/crossref_metadata_2025 huggingface dataset:
Molecular mechanisms of esophageal epithelial regeneration following repair of surgical defects with acellular silk fibroin grafts
Authors: Gundogdu Gokhan , Tosun Mehmet , Morhardt Duncan , Gheinani Ali Hashemi , Algarrahi Khalid , Yang Xuehui , Costa Kyle , Alegria Cinthia Galvez , Adam Rosalyn M. , Yang Wei , Mauney Joshua R.
Published: March 2021

Constructive remodeling of focal esophageal defects with biodegradable acellular grafts relies on the ability of host progenitor cell populations to repopulate implant regions and facilitate growth of de novo functional tissue. Intrinsic molecular mechanisms governing esophageal repair processes following biomaterial-based, surgical reconstruction is largely unknown. In the present study, we utilized mass spectrometry-based quantitative proteomics and in silico pathway evaluations to identify signaling cascades which were significantly activated during neoepithelial formation in a Sprague Dawley rat model of onlay esophagoplasty with acellular silk fibroin scaffolds. Pharmacologic inhibitor and rescue experiments revealed that epithelialization of neotissues is significantly dependent in part on pro-survival stimuli capable of suppressing caspase activity in epithelial progenitors via activation of hepatocyte growth factor receptor (c-MET), tropomyosin receptor kinase A (TrkA), phosphoinositide 3-kinase (PI3K), and protein kinase B (Akt) signaling mechanisms. These data highlight the molecular machinery involved in esophageal epithelial regeneration following surgical repair with acellular implants.
Ab initio determination of crystal stability of di-p-tolyl disulfide
Authors: Hao Xuan , Liu Jinfeng , Ali Imran , Luo Hongyuan , Han Yanqiang , Hu Wenxin , Liu Jinyun , He Xiao , Li Jinjin
Published: March 2021

With the rapid growth of energy demand and the depletion of existing energy resources, the new materials with superior performances, low costs and environmental friendliness for energy production and storage are explored. Di-p-tolyl disulfide (p-Tol2S2) is a typical lubricating material, which has been applied in the field of energy storage. The conformational properties and phase transformations of p-Tol2S2 have been studied by pioneers, but their polymorphs and the polymorphism induced crystal structure changes require further analysis. In this study, we perform the crystal structural screening, prediction and optimization of p-Tol2S2 crystal with quantum mechanical calculations, i.e., density functional theory (DFT) and second-order Møller–Plesset perturbation (MP2) methods. A series of crystal structures with different molecular arrangements are generated based on the crystal structure screening. As compared to long-established lattice energy calculation, we take an advantage of using more accurate technique, which is Gibbs free energy calculation. It considers the effects of entropy and temperature to predict the crystal structures and energy landscape. By comparing the Gibbs free energies between predicted and experimental structures, we found that phase α is the most stable structure for p-Tol2S2 crystal at ambient temperature and standard atmospheric pressure. Furthermore, we provide an efficient method to discriminate different polymorphs that are otherwise difficult to be identified based on the Raman/IR spectra. The proposed work enable us to evaluate the quality of various crystal polymorphs rapidly.
Development and evaluation of a deep neural network for histologic classification of renal cell carcinoma on biopsy and surgical resection slides
Authors: Zhu Mengdan , Ren Bing , Richards Ryland , Suriawinata Matthew , Tomita Naofumi , Hassanpour Saeed
Published: March 2021

Renal cell carcinoma (RCC) is the most common renal cancer in adults. The histopathologic classification of RCC is essential for diagnosis, prognosis, and management of patients. Reorganization and classification of complex histologic patterns of RCC on biopsy and surgical resection slides under a microscope remains a heavily specialized, error-prone, and time-consuming task for pathologists. In this study, we developed a deep neural network model that can accurately classify digitized surgical resection slides and biopsy slides into five related classes: clear cell RCC, papillary RCC, chromophobe RCC, renal oncocytoma, and normal. In addition to the whole-slide classification pipeline, we visualized the identified indicative regions and features on slides for classification by reprocessing patch-level classification results to ensure the explainability of our diagnostic model. We evaluated our model on independent test sets of 78 surgical resection whole slides and 79 biopsy slides from our tertiary medical institution, and 917 surgical resection slides from The Cancer Genome Atlas (TCGA) database. The average area under the curve (AUC) of our classifier on the internal resection slides, internal biopsy slides, and external TCGA slides is 0.98 (95% confidence interval (CI): 0.97–1.00), 0.98 (95% CI: 0.96–1.00) and 0.97 (95% CI: 0.96–0.98), respectively. Our results suggest that the high generalizability of our approach across different data sources and specimen types. More importantly, our model has the potential to assist pathologists by (1) automatically pre-screening slides to reduce false-negative cases, (2) highlighting regions of importance on digitized slides to accelerate diagnosis, and (3) providing objective and accurate diagnosis as the second opinion.
Stachyose triggers apoptotic like cell death in drought sensitive but not resilient plants
Authors: Okemo Pauline , Long Hao , Cheng Yen , Mundree Sagadevan , Williams Brett
Published: March 2021

Programmed cell death (PCD) is one of the most intensively researched fields in modern mammalian biology with roles in cancer, aging, diabetes and numerous neurodegenerative diseases. It is becoming increasingly clear that PCD also plays significant roles in plant defence and responses to the environment. Given their unique ability to tolerate desiccation (cells remain viable even after they’ve lost 95% of their water), resurrection plants make ideal models to study the regulation of plant PCD pathways. Previously, we showed that the Australian resurrection plant, Tripogon loliiformis, suppresses plant PCD, via trehalose-mediated activation of autophagy pathways, during drying. In the present study, we created a full-length T. loliiformis cDNA library, performed a large-scale Agrobacterium screen for improved salinity tolerance and identified Stachyose synthase (TlStach) as a potential candidate for improving stress tolerance. Tripogon loliiformis shoots accumulate stachyose synthase transcripts and stachyose during drying. Attempts to generate transgenic plants expressing TlStach failed and were consistent with previous reports in mammals that demonstrated stachyose-mediated induction of apoptosis. Using a combination of transcriptomics, metabolomics and cell death assays (TUNNEL and DNA laddering), we investigated whether stachyose induces apoptotic-like cell death in T. loliiformis. We show that stachyose triggers the formation of the hallmarks of plant apoptotic-like cell death in the desiccation sensitive Nicotiana benthamiana but not the resilient T. loliiformis. These findings suggest that T. loliiformis suppresses stachyose-mediated apoptotic-like cell death and provides insights on the role of sugar metabolism and plant PCD pathways. A better understanding of how resilient plants regulate sugar metabolism and PCD pathways may facilitate future targeting of plant metabolic pathways for increased stress tolerance.
Effects from the induction of heat shock proteins in a murine model due to progression of aortic atherosclerosis
Authors: Hashikawa Naoya , Ido Masanobu , Morita Yuna , Hashikawa-Hobara Narumi
Published: March 2021

Heat shock proteins (HSPs) are molecular chaperones that repair denatured proteins. The relationship between HSPs and various diseases has been extensively studied. However, the relationship between HSPs and atherosclerosis remains unclear. In this study, we induced the expression of HSPs and analyzed the effects on the development/progression of atherosclerosis in vivo. Remarkably, when HSPs were induced in apolipoprotein E deficient (ApoE−/−) mice prior to the formation of atheromas, the progression of atherosclerosis was inhibited; the short-term induction of HSPs significantly decreased the mRNA expression of intercellular adhesion molecule 1 (ICAM-1) and vascular cell adhesion molecule 1 (VCAM-1) in the aorta. In contrast, the induction of HSPs after the formation of atheromas promoted the progression of atherosclerosis. In fact, the short-term induction of HSPs, after the formation of atheromas, significantly increased the mRNA expression of tumor necrosis factor-alpha, and interleukin 6 in the aorta. Of note, the induction of HSPs also promoted the formation of macrophage-derived foam cells. Overall, these results indicate that HSPs exerts different effects in the context of aortic atherosclerosis, depending on its degree of progression. Therefore, the induction and inhibition of HSPs should be considered for the prevention and treatment of atherosclerosis, respectively.
Subtle cardiac dysfunction in lymphoma patients receiving low to moderate dose chemotherapy
Authors: Chang Hsien-Yuan , Lee Chun-Hui , Su Po-Lan , Li Sin-Syue , Chen Ming-Yueh , Chen Ya-Ping , Hsu Ya-Ting , Tsai Wei-Chuan , Liu Ping-Yen , Chen Tsai-Yun , Liu Yen-Wen
Published: March 2021

Left ventricular (LV) global peak systolic longitudinal strain (GLS) is a sensitive measurement for detecting subtle LV systolic dysfunction and a powerful prognostic predictor. However, the clinical implication of LV GLS in lymphoma patients receiving cancer therapy remains unknown. We prospectively enrolled 74 lymphoma patients (57.9 ± 17.0 years old, 57% male). We performed echocardiographic studies after the 3rd and 6th cycles and 1 year after chemotherapy and a cardiopulmonary exercise test upon completion of 3 cycles of anticancer therapy. Cancer therapy-related cardiac dysfunction (CTRCD) was defined as a ≥ 15% relative reduction in GLS value from baseline. The primary outcome was a composite of all-cause mortality and heart failure events. Thirty-six patients (49%) had CTRCD (LV GLS: baseline vs. after 3rd cycle of therapy: 20.1 ± 2.6 vs. 17.5 ± 2.3%, p < 0.001). CTRCD was detected after the 3rd cycle of anticancer therapy. CTRCD patients had impaired exercise capacity (minute oxygen consumption/kg, CTRCD vs. CTRCD (-): 13.9 ± 3.1 vs. 17.0 ± 3.9 ml/kg/min, p = 0.02). More primary outcome events occurred in the CTRCD group (hazard ratio 3.21; 95% confidence interval 1.04–9.97; p = 0.03). LV GLS could detect subtle but clinically significant cardiac dysfunction in lymphoma patients in the early stage of anticancer therapy. CTRCD may be associated with not only a reduced exercise capacity but also a worse prognosis.
A novel scoring system for TIGIT expression in classic Hodgkin lymphoma
Authors: Annibali Ombretta , Bianchi Antonella , Grifoni Alba , Tomarchio Valeria , Tafuri Mariantonietta , Verri Martina , Avvisati Giuseppe , Crescenzi Anna
Published: March 2021

Clinical use of immune-checkpoints inhibitors (anti PD-1/PD-L1) resulted very effective for the treatment of relapsed/refractory classic Hodgkin Lymphoma (CHL). Recently, T cell Ig and ITIM domains (TIGIT) has been recognized as an immune checkpoint receptor able to negatively regulate T cell functions. Herein, we investigated the expression of TIGIT in CHL microenvironment in order to find a potential new target for inhibitor therapy. TIGIT, PD-1 and PD-L1 expression was evaluated in 34 consecutive patients with CHL. TIGIT expression in T lymphocytes surrounding Hodgkin Reed-Sternberg (HRS) cells was observed in 19/34 patients (56%), of which 11 (58%) had advanced stages. In 16/19 (84%) cases, TIGIT+ peritumoral T lymphocytes showed also PD-1 expression. All 15 TIGIT− patients had PD-L1 expression in HRS cells (100%) while among 19 TIGIT+ patients, 11 (58%) were PD-L1+ and 8 (42%) were PD-L1−. Using a new scoring system for TIGIT immunoreactivity, all TIGIT+ cases with higher score (4/19) were PD-L1−. Our results confirm co-expression of TIGIT and PD-1 in peritumoral T lymphocytes. Of relevance, we demonstrated a mutually exclusive expression of TIGIT and PD-L1 using new TIGIT scoring system able to identify this immunocheckpoints’ modulation. These results pave the way to new therapeutic strategies for relapsed/refractory CHL.
A prospective, observational clinical trial on the impact of COVID-19-related national lockdown on thyroid hormone in young males
Authors: Brigante Giulia , Spaggiari Giorgia , Rossi Barbara , Granata Antonio , Simoni Manuela , Santi Daniele
Published: March 2021

Trying to manage the dramatic coronavirus disease 2019 (COVID-19) infection spread, many countries imposed national lockdown, radically changing the routinely life of humans worldwide. We hypothesized that both the pandemic per se and the consequent socio-psychological sequelae could constitute stressors for Italian population, potentially affecting the endocrine system. This study was designed to describe the effect of lockdown-related stress on the hypothalamic-pituitary-thyroid (HPT) axis in a cohort of young men. A prospective, observational clinical trial was carried out, including patients attending the male infertility outpatient clinic before and after the national lockdown for COVID-19 pandemic. The study provided a baseline visit performed before and a follow-up visit after the lockdown in 2020. During the follow-up visit, hormonal measurements, lifestyle habits and work management were recorded. Thirty-one male subjects were enrolled (mean age: 31.6 ± 6.0 years). TSH significantly decreased after lockdown (p = 0.015), whereas no significant changes were observed in the testosterone, luteinising hormone, follicle-stimulating hormone, estradiol and prolactin serum levels. No patient showed TSH serum levels above or below reference ranges, neither before nor after lockdown. Interestingly, TSH variation after lockdown was dependent on the working habit change during lockdown (p = 0.042). We described for the first time a TSH reduction after a stressful event in a prospective way, evaluating the HPT axis in the same population, before and after the national lockdown. This result reinforces the possible interconnection between psychological consequences of a stressful event and the endocrine regulation.
Tunable infrared metamaterial-based biosensor for detection of hemoglobin and urine using phase change material
Authors: Patel Shobhit K. , Parmar Juveriya , Sorathiya Vishal , Nguyen Truong Khang , Dhasarathan Vigneswaran
Published: March 2021

This paper reports about the outcomes from an investigation carried out on tunable biosensor for detection using infrared in the range of 1.5 µm and 1.65 µm. The biosensor is made of phase change material formed by different alloy combinations, Ge2Sb2Te5 (GST). The nature of GST allows for the material to change phase with changes in temperature, giving the tunable sensing property for biosensing application. Sensor built with amorphous GST (aGST) and crystalline GST (cGST) in different design structures were tested on different concentrations of biomolecules: hemoglobin (10 g/l, 20 g/l, 30 g/l and 40 g/l); and urine (0–1.5 mg/dL, 2.5 mg/dL, 5 mg/dL and 10 mg/dL). The tunable response observed from the tests demonstrates the potential application of the materials in the design of switching and sensing systems.
Author Correction: A VCP modulator, KUS121, as a promising therapeutic agent for post-traumatic osteoarthritis
Authors: Saito Motoo , Nishitani Kohei , Ikeda Hanako O. , Yoshida Shigeo , Iwai Sachiko , Ji Xiang , Nakahata Akihiro , Ito Akira , Nakamura Shinichiro , Kuriyama Shinichi , Yoshitomi Hiroyuki , Murata Koichi , Aoyama Tomoki , Ito Hiromu , Kuroki Hiroshi , Kakizuka Akira , Matsuda Shuichi
Published: March 2021

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
mmsig: a fitting approach to accurately identify somatic mutational signatures in hematological malignancies
Authors: Rustad Even H. , Nadeu Ferran , Angelopoulos Nicos , Ziccheddu Bachisio , Bolli Niccolò , Puente Xose S. , Campo Elias , Landgren Ola , Maura Francesco
Published: March 2021

Mutational signatures have emerged as powerful biomarkers in cancer patients, with prognostic and therapeutic implications. Wider clinical utility requires access to reproducible algorithms, which allow characterization of mutational signatures in a given tumor sample. Here, we show how mutational signature fitting can be applied to hematological cancer genomes to identify biologically and clinically important mutational processes, highlighting the importance of careful interpretation in light of biological knowledge. Our newly released R package mmsig comes with a dynamic error-suppression procedure that improves specificity in important clinical and biological settings. In particular, mmsig allows accurate detection of mutational signatures with low abundance, such as those introduced by APOBEC cytidine deaminases. This is particularly important in the most recent mutational signature reference (COSMIC v3.1) where each signature is more clearly defined. Our mutational signature fitting algorithm mmsig is a robust tool that can be implemented immediately in the clinic.
Topical delivery of chemotherapeutic drugs using nano-hybrid hydrogels to inhibit post-surgical tumour recurrence
Authors: Liu Chendan , Ma Yudi , Guo Song , He Bingfang , Jiang Tianyue
Published: March 2021

A nano-hybrid oligopeptide hydrogel embedded with transfersomes is developed for topical delivery of anticancer drugs to inhibit the post-surgical tumour recurrence.
Sweet potato (Ipomoea batatas L.) leaf polyphenols ameliorate hyperglycemia in type 2 diabetes mellitus mice
Authors: Luo Dan , Mu Taihua , Sun Hongnan
Published: March 2021

The hypoglycemic effects and potential mechanism of sweet potato leaf polyphenols (SPLP) on type 2 diabetes mellitus (T2DM) were investigated.
Extracellular vesicle mediated feto-maternal HMGB1 signaling induces preterm birth
Authors: Radnaa Enkhtuya , Richardson Lauren S. , Sheller-Miller Samantha , Baljinnyam Tuvshintugs , de Castro Silva Mariana , Kumar Kammala Ananth , Urrabaz-Garza Rheanna , Kechichian Talar , Kim Sungjin , Han Arum , Menon Ramkumar
Published: March 2021

Preterm birth (PTB; <37 weeks of gestation) impacts ∼11% of all pregnancies and contributes to 1 million neonatal deaths worldwide annually.
A monodispersed CuPt alloy: synthesis and its superior catalytic performance in the hydrogen evolution reaction over a full pH range
Authors: Liu Xinmei , Liang Chen , Yang Wenlong , Yang Chunyang , Lin Jiaqi , Li Xue
Published: March 2021

An effective approach to achieve the low cost and high stability of electro-catalysts for HER.
Convenient hyaluronidase biosensors based on the target-trigger enhancing of the permeability of a membrane using an electronic balance as a readout
Authors: Dong Nuo , Cai Qing , Li Zhixin , Xu Liangzhen , Wu Huping , Lin Zhirong , Qiu Bin , Li Cheng , Lin Zhenyu
Published: March 2021

A sensitive and convenient hydrogel biosensor based on the target-trigger enhancing of the permeability of a membrane has been established for HAase detection using an electronic balance as a readout.
PEGylated AIEgen molecular probe for hypoxia-mediated tumor imaging and photodynamic therapy
Authors: Li Jun , Liu Wei , Li Zuhao , Hu Yingcai , Yang Jinfeng , Li Jishan
Published: March 2021

By linking a PEG chain to the AIEgen fluorophore via a hypoxia-responsive azo group, we here report a novel PEGylated AIEgen molecular probe for hypoxia-mediated tumor imaging and photodynamic therapy.
One-step preparation of C-doped TiO2 nanotubes with enhanced photocatalytic activity by a water-assisted method
Authors: Nie Xiaojiang , Wang Junkun , Duan Wenchao , Zhao Zilong , Li Liang , Zhang Zhiqiang
Published: March 2021

In this paper, C-doped TiO2 nanotubes were prepared in one-step by adding sucrose to water-assisted crystallization solution. The photocatalytic activity was obviously enhanced due to the decrease of the energy band gap after doping.
Donor–acceptor structure of a coordination polymer with long-lived room temperature phosphorescence and angle-dependent polarized emission
Authors: Qin Wen-Jing , Zhang Ji-Rui , Tian Xu-Ke , Yang Xiao-Gang , Guo Yu-Ming
Published: March 2021

The formation of a donor–acceptor structure in a coordination polymer results in a long room temperature phosphorescence lifetime (40.22 ms) three orders of magnitude higher than that of pristine phosphor.
Correction: Oxidative dehydrogenation of propane over transition metal sulfides using sulfur as an alternative oxidant
Authors: Arinaga Allison M. , Liu Shanfu , Marks Tobin J.
Published: March 2021

Correction for ‘Oxidative dehydrogenation of propane over transition metal sulfides using sulfur as an alternative oxidant’ by Allison M. Arinaga et al., Catal. Sci. Technol., 2020, 10, 6840–6848, DOI: 10.1039/D0CY01039A.
Scrutinising the role of intramolecular hydrogen bonding in water exchange dynamics of Gd(iii) complexes
Authors: Leone Loredana , Camorali Sara , Freire-García Antía , Platas-Iglesias Carlos , Esteban Gomez David , Tei Lorenzo
Published: March 2021

The water exchange rate in GdIII-complexes bearing substituted acetophenone moieties is modulated by the ability of peripherical substituents to establish hydrogen bonds with the coordinated and/or second sphere water molecules.
Structures, properties and applications of Cu(ii) complexes with tridentate donor ligands
Authors: Anwar Muhammad Usman , Al-Harrasi Ahmed , Rawson Jeremy M.
Published: March 2021

In this article, we discussed selected examples of Cu(ii) complexes with tridentate ligands utilizing combinations of N, O, S, and Se donors.
Synthesis, characterization and theoretical investigation of a new chalcohalide, Ba4GaS4F3
Authors: Gao Hongbo , Chen Ruijiao , Zhang Kewang , Abudurusuli Ailijiang , Lai Kangrong , Li Junjie
Published: March 2021

Ba4GaS4F3is the first synthesized compound in the Ba4AM4D3(A = Ga, In; M = chalcogen; D = halogen) family. It crystallizes in theI41/aspace group of a tetragonal crystal system and is composed of Ba2+cations, isolated GaS4tetrahedra and F−anions.
Flexible and transparent memristive synapse based on polyvinylpyrrolidone/N-doped carbon quantum dot nanocomposites for neuromorphic computing
Authors: Zeng Tao , Yang Zhi , Liang Jiabing , Lin Ya , Cheng Yankun , Hu Xiaochi , Zhao Xiaoning , Wang Zhongqiang , Xu Haiyang , Liu Yichun
Published: March 2021

A flexible and transparent memristive synapse is fabricated by inserting NCQDs into the PVP, which the biorealistic realization of several essential synaptic functions.
Effect of multiple oxadiazole rings with nitro and nitramino functionalities on energetic properties: computational analysis of the structure–property relationship
Authors: Maan Anjali , Mathpati Ramling S. , Ghule Vikas D. , Dharavath Srinivas
Published: March 2021

The oxadiazole ring is an essential nitrogen-containing heterocycle and a valuable building block that is used in developing numerous functionalized energetic compounds.
Reversible engineering of spin–orbit splitting in monolayer MoS2via laser irradiation under controlled gas atmospheres
Authors: Liang Xilong , Qin Chengbing , Gao Yan , Han Shuangping , Zhang Guofeng , Chen Ruiyun , Hu Jianyong , Xiao Liantuan , Jia Suotang
Published: March 2021

Here we demonstrate that the spin–orbit coupling of the state-of-the-art monolayer MoS2 can be readily and reversibly manipulated within the energy of 140 meV to 200 meV by laser irradiation under controlled gas atmospheres.
Advances in hydrogen production from electrocatalytic seawater splitting
Authors: Wang Cheng , Shang Hongyuan , Jin Liujun , Xu Hui , Du Yukou
Published: March 2021

Seawater is one of the most abundant natural resources on our planet. Electrolysis of seawater is not only a promising approach to produce clean hydrogen energy, but also of great significance for seawater desalination.
Chemical probes targeting the kinase CK2: a journey outside the catalytic box
Authors: Iegre Jessica , Atkinson Eleanor L. , Brear Paul D. , Cooper Bethany M. , Hyvönen Marko , Spring David R.
Published: March 2021

An up-to-date and comprehensive review on chemical probes targeting the important kinase CK2.
Synthesis and evaluation of 3′-[18F]fluorothymidine-5′-squaryl as a bioisostere of 3′-[18F]fluorothymidine-5′-monophosphate
Authors: Brickute D. , Beckley A. , Allott L. , Braga M. , Barnes C. , Thorley K. J. , Aboagye E. O.
Published: March 2021

[18F]SqFLT was developed to bypass thymidine kinase 1 (TK1) and evaluated for PET imaging of DNA synthesis.
Sulfur and phosphorus co-doped nickel–cobalt layered double hydroxides for enhancing electrochemical reactivity and supercapacitor performance
Authors: Kim Kyung Su , Shinde Nanasaheb M. , Yun Je Moon , Kim Kwang Ho
Published: March 2021

The optimized sulfur and phosphorus co-doped NiCo LDH reduces charge transfer resistance and realizes efficient redox reaction, achieving an outstanding specific capacitance of 3844.8 F g−1 at 3 A g−1.
Synthesis of some new distyrylbenzene derivatives using immobilized Pd on an NHC-functionalized MIL-101(Cr) catalyst: photophysical property evaluation, DFT and TD-DFT calculations
Authors: Niknam Esmaeil , Mahmoodi Ali , Panahi Farhad , Heydari Dokoohaki Maryam , Zolghadr Amin Reza , Khalafi-Nezhad Ali
Published: March 2021

The Pd–NHC–MIL-101(Cr) catalyst was found to be an efficient heterogeneous catalyst in the synthesis of DSB and stilbene π-conjugated materials using Heck chemistry.
Efficient one-pot synthesis and dehydrogenation of tricyclic dihydropyrimidines catalyzed by OMS-2-SO3H, and application of the functional-chromophore products as colorimetric chemosensors
Authors: Mardazad Neda , Khorshidi Alireza , Fallah Shojaei Abdollah
Published: March 2021

Hyperconjugated products of dihydropyrimidines may act as colorimetric chemosensors.
Anti-greasy and conductive superamphiphobic coating applied to the carbon brushes/conductive rings of hydro-generators
Authors: Fu Yang , Qin Hongling , Guo Zhiguang
Published: March 2021

A simple and low-cost method is used to prepare a superamphiphobic coating with excellent anti-greasy and conductivity properties that can be used on the surface of carbon brushes and collector rings.
Paving the way to conformationally unravel complex glycopeptide antibiotics by means of Raman optical activity
Authors: Aerts Roy , Vanhove Jente , Herrebout Wouter , Johannessen Christian
Published: March 2021

Raman optical activity tackles the complex conformational space of glycopeptide antibiotics.
Isolated single iron atoms anchored on a N, S-codoped hierarchically ordered porous carbon framework for highly efficient oxygen reduction
Authors: Liu Xinghuan , Zhai Xingwu , Sheng Wenbo , Tu Juan , Zhao Zeyu , Shi Yulin , Xu Caixia , Ge Guixian , Jia Xin
Published: March 2021

An in situ gas-foaming strategy was presented to prepare atomic Fe anchored on N, S-codoped hierarchically ordered porous carbon (HOPC) framework. The HOPC and FeN4S2 catalytic centers make it exhibit superb ORR and Zn–air battery properties.
Nb2O5–Ni3N heterojunction tuned by interface oxygen vacancy engineering for the enhancement of electrocatalytic hydrogen evolution activity
Authors: Chen Xiao Hui , Li Xiao Lin , Wu Li Li , Fu Hong Chuan , Luo Juan , Shen Li , Zhang Qing , Lei Jing Lei , Luo Hong Qun , Li Nian Bing
Published: March 2021

Ni3N is combined with Nb2O5 to form an interfacial oxygen vacancy induced Nb2O5–Ni3N/NF heterojunction to improve the catalytic performance of Ni3N for the hydrogen evolution reaction.
Three-in-one cathode host based on Nb3O8/graphene superlattice heterostructures for high-performance Li–S batteries
Authors: Wang Chenhui , Sakai Nobuyuki , Ebina Yasuo , Kikuchi Takayuki , Snowdon Monika R. , Tang Daiming , Ma Renzhi , Sasaki Takayoshi
Published: March 2021

Superlattice Nb3O8/rGO with alternately restacked Nb3O8 nanosheets and rGO improves Li–S batteries performance by maximizing synergistic effects of components to prevent “shuttle effect” and promote lithium polysulfide conversion and Li2S nucleation
Electronic control of drug release from gauze or cellulose acetate fibres for dermal applications
Authors: Baptista Ana Catarina , Brito Miguel , Marques Ana , Ferreira Isabel
Published: March 2021

Ppy functionalised gauze or cellulose acetate membranes combined with Ibuprofen impregnated ones allow electronically controlled drug delivery.
Two-dimensional intrinsic ferromagnets with high Curie temperatures: synthesis, physical properties and device applications
Authors: Guo Yu , Zhou Si , Zhao Jijun
Published: March 2021

We reviewed recent advances in the field of 2D ferromagnets, including their atomic structures, physical properties, and potential applications, and highlight the strategies to enhance ferromagnetism.
Osteoporose-Update 2021
Authors: Jakob Franz
Published: March 2021

Was ist neu?

Romosozumab Romosozumab ist ein humanisierter Antikörper gegen das Osteozyten-spezifische Protein Sklerostin. Die Neutralisierung von Sklerostin mit Romosozumab fördert die Knochenneubildung. Die schnelle Zunahme an Knochenmasse reduziert deutlich das Frakturrisiko und geht bereits nach einem Jahr in ein Plateau über. Als Erhaltungstherapie ist eine anschließende antiresorptive Therapie erforderlich. Romosozumab ist zugelassen als neues anaboles Wirkprinzip für die Behandlung der schweren Osteoporose. Es besteht ein Warnhinweis für kardiovaskuläre Erkrankungen wie Myokardinfarkt oder Schlaganfall in den letzten 12 Monaten.

Primär anabole Therapie Nach Aufhebung des G-BA-Therapiehinweises zu Teriparatid mit dem 06.04.2019 ist eine primär anabole Therapie der Osteoporose ohne vorherige antiresorptive Behandlung möglich. Das Vorgehen sollte individualisiert an die Krankheitsaktivität und das Frakturrisiko angepasst werden. Die anabole Therapie erfolgt mit Romosozumab oder Teriparatid, jeweils gefolgt von einer Erhaltungstherapie mit einem Antiresorptivum. Eine primär antiresorptive Behandlung ist unverändert sinnvoll bei ausreichend erhaltener Knochenstruktur und hohem Verlust-/Frakturrisiko.

Individualisierte Langzeitkonzepte Leitliniengerechte individualisierte Langzeitkonzepte müssen dem persönlichen Risikoprofil und der Krankheitsaktivität gerecht werden. Behandlungsziele („treat to target“) sind die funktionelle Wiederherstellung auf das Niveau vor Fraktur(en) und die bestmögliche Reduktion des zukünftigen Frakturrisikos. Die Langzeittherapie besteht aus sinnvollen Sequenzen, eine lebenslange Therapie mit einem einzigen Medikament ist nicht durchführbar.
Die Therapie von Lückensituationen
Authors: Riemekasten Sandra , Klapper Horst-Uwe
Published: March 2021

Lückensituationen bei Patienten stellen eine therapeutische
Herausforderung für Zahnärzte und Kieferorthopäden
dar und bedürfen einer komplexen interdisziplinären
Behandlung. Für jeden Patienten muss ein stimmiges Gesamtkonzept
erarbeitet werden, welches auf die individuellen Gegebenheiten angepasst
ist. Dieser Artikel bietet einen Überblick über Ursachen und
Therapieansätze bzw. Lösungen.
An adaptive behavioral immune system: a model of population health behavior
Authors: Saad Julian M. , Prochaska James O.
Published: March 2021

The understanding that immunity could be strengthened in the general population (e.g., through vaccine interventions) supported global advances upon acute infectious disease epidemics in the eighteenth, nineteenth, and twentieth centuries. However, in the twenty-first century, global populations face chronic disease epidemics. Research demonstrates that diseases largely emerge from health risk behavior. The understanding of how health behavior, like the biological immune system, can be strengthened in the general population, could support advances in the twenty-first century. To consider how health behavior can be strengthened in the general population, the authors present a theoretical model of population health behavior. The model operationalizes health behavior as a system of functions that, like the biological immune system, exists in each member of the population. Constructs are presented that operationalize the specific decisions and habits that drive health behavior and behavior change in the general population. The constructs allow the authors to present parallels (1) among existing behavior change theories and (2) between the proposed system and the biological immune system. Through these parallels, the authors introduce a model and a logic of population-level health behavior change. The Adaptive Behavioral Immune System is an integrative model of population health behavior.
Wielding the human rights weapon against the American empire: the second Russell Tribunal and human rights in transatlantic relations
Authors: Tulli Umberto
Published: March 2021

The article discusses the evolution from the 1966–1967 “first” Russell Tribunal, an unofficial and political gathering that censured the USA for its aggression in Vietnam, to the “second” Russell Tribunal, which took place in Rome and Brussels between 1974 and 1976 and put human rights violations in Latin America in the international spotlight. Both Tribunals shared a profound anti-Americanism and an explicit proximity to Third Worldism. Yet, there was also an important difference, since the language of human rights shaped only the “second” Tribunal. The article is mostly based on documentary sources held by the Fondazione Lelio and Lisli Basso in Rome. This choice is based on the importance Italian Senator Lelio Basso had for the Tribunal. Basso was the main organizer and the driving force of the Tribunal and coordinated many transnational groups in support of this event. Moreover, his intellectual reflections on decolonization as a revolutionary force and his fierce anti-Americanism offered a blueprint for the proceedings and the sentence of the Tribunal. Bringing together the recent literature on the emergence of human rights during the 1970s and that on European anti-Americanism, the article shows how some prominent European intellectuals and politicians appropriated human rights jargon to criticize American foreign policy and denounce its responsibilities for ongoing human rights violations in Latin America. In doing so, it argues that the human rights language renewed European anti-Americanism during the 1970s.
Wave-resistance sleeper with locally resonant phononic crystals: Bandgap property and vibration reduction mechanism
Authors: Cui Rixin , Zhou Jinsong , Gong Dao
Published: March 2021

As an artificially engineered metamaterial, locally resonant phononic crystals (LRPCs) exhibit great potential for the vibration reduction of urban rail transit due to their capability to prohibit the propagation of elastic waves with long wavelengths. This study proposes a wave-resistance sleeper with negative dynamic mass density by periodically embedding LRPCs into the concrete sleeper and provides new approaches to improve its bandgap property. Furthermore, the vibration reduction effect of the wave-resistance sleeper applied in a slab track was evaluated with a three-dimensional half-track model. The results show that the wave-resistance sleeper has two bandgaps below the frequency of 2000 Hz and can effectively prohibit the vibration within the bandwidth from transmitting to the track bed. Setting intervals in the rubber coating and increasing the void fraction can significantly reduce boundary frequencies of the first bandgap, whereas the second bandgap attenuates completely as the vibration can no longer be localized in the discontinuous rubber coating. A larger metal core is beneficial for obtaining a wider bandgap in the low-frequency range, whereas a thicker rubber coating can be used to obtain a wider bandgap in the medium-frequency range. To obtain wider bandgaps, the steel tube used should be as thin as possible and the use of an oval metal core should be avoided. It is hoped that the research results can provide a useful reference for the vibration reduction of track in rail transit.
X-ray-activated, UVA persistent luminescent materials based on Bi-doped SrLaAlO4 for deep-Seated photodynamic activation
Authors: Liu Bo-Mei , Gan Wei-Jiang , Lou Sun-Qi , Zou Rui , Tang Qiang , Wang Cheng-Xin , Jiao Ju , Wang Jing
Published: March 2021

The development of functionalized persistent-luminescent (PersL) materials is currently receiving intense interest for diverse applications. However, PersL materials emitting ultraviolet light in the 315–400 nm (UVA) range are lacking. Herein, a series of x-ray-activated PersL materials based on ABCO4-type structures with random cation arrangements are developed. Comprehensive experiments confirm that materials featuring random cation arrangements are sufficiently general to act as host materials for PersL. Experimental results indicate that as-synthesized SrLaXO4:Bi3+ (X = Al, Ga, In) powders have tunable PersL bands covering the UV-to-visible range after x-ray irradiation. Taking advantage of the depth-independent nature of x-ray illumination in tissues, UVA Persl composites using the matched photosensitizer g-C3N4 (SrLaAlO4:Bi@g-C3N4) are well suited for x-ray-activated photodynamic therapy, as proven by tests for singlet-oxygen (1O2) generation. Therefore, we suggest that the proposed concept be applied to discover additional functionalized PersL materials for clinical cancer therapy in the future.
Low-noise photon counting above 100 × 106 counts per second with a high-efficiency reach-through single-photon avalanche diode system
Authors: Wayne Michael A. , Bienfang Joshua C. , Migdall Alan L.
Published: March 2021

We demonstrate a method that allows a high-efficiency single-photon-avalanche diode (SPAD) with a thick absorption region (>10 μm) to count single photons at rates significantly higher than previously demonstrated. We apply large (>30 V) AC bias gates to the SPAD at 1 GHz and detect minute avalanches with a discrimination threshold of 5(1) mV by means of radio frequency interferometry. We measure a reduction by a factor of ≈500 in the average charge per avalanche when compared to operation in its traditional active-quenching module and a relative increase in >19% in detection efficiency at 850 nm. The reduction in charge strongly suppresses self-heating effects in the diode that can degrade performance at high avalanche rates. We show that the single-photon detection system maintains high efficiency at count rates exceeding 108 s−1.
Invariant Gibbs measure and global strong solutions for the Hartree NLS equation in dimension three
Authors: Deng Yu , Nahmod Andrea R. , Yue Haitian
Published: March 2021

In this paper, we consider the defocusing Hartree nonlinear Schrödinger equations on T3 with real-valued and even potential V and Fourier multiplier decaying such as |k|−β. By relying on the method of random averaging operators [Deng et al., arXiv:1910.08492 (2019)], we show that there exists β0, which is less than but close to 1, such that for β > β0, we have invariance of the associated Gibbs measure and global existence of strong solutions in its statistical ensemble. In this way, we extend Bourgain’s seminal result [J. Bourgain, J. Math. Pures Appl. 76, 649–702 (1997)], which requires β > 2 in this case.
First-principles investigation on the photovoltaic properties of lead free earth abundant (CH3NH3)2SnI6 perovskite
Authors: Xu Peng , Liu Fuxiang
Published: March 2021

The issue of toxicity and chemical stability are two concerns for organic–inorganic hybrid perovskites, impeding their further commercial applications. Double perovskite (CH3NH3)2SnI6 with a bandgap of 1.81 eV and stable chemical valence of Sn (+4) is considered as a promising alternative. By first-principles calculations, the electronic properties, defect physics, and interface engineering of the perovskite are investigated in this work. It is found that (i) MA2SnI6 has a direct bandgap with a large dispersion of a lower conduction band. Due to the direct I 5p–5p transition between band edges, the light absorption can be as high as 105 cm−1 in the visible range. (ii) An Sn rich and I poor condition is suggested when MA2SnI6 is used as an electron transporting material (ETM) because of its high n-type electronic conductivity. An Sn poor and I rich condition is proposed when MA2SnI6 is prepared for photovoltaic application, because it can suppress the formation of non-radiation centers. (iii) ICBA and Spiro are proposed to be suitable ETM and hole transporting material, respectively, in MA2SnI6 based solar cells.
Effects of water removal on the structure and spin-crossover in an anilato-based compound
Authors: Benmansour Samia , Gómez-Claramunt Patricia , Gómez-García Carlos J.
Published: March 2021

The crucial role played by a crystallization water molecule in the spin crossover (SCO) temperature and its hysteresis is described and discussed in compound [NBu4][Fe(bpp)2][Cr(C6O4Br2)3]⋅2.5H2O (1), where bpp = 2,6-bis(pyrazol-3-yl)pyridine and (C6O4Br2)2− = dianion of the 3,6-dibromo-2,5-dihydroxy-1,4-benzoquinone. The compound has isolated [Fe(bpp)2]2+ cations surrounded by chiral [Cr(C6O4Br2)3]3− anions, NBu4+ cations, and a water molecule H-bonded to one of the non-coordinated N–H groups of one bpp ligand. This complex shows a gradual almost complete two-step spin transition centered at ca. 180 and 100 K with no hysteresis. The loss of the water molecules results in a phase transition from a P21/n phase with only one independent [Fe(bpp)2]2+ cation to a chiral Pn phase with two independent [Fe(bpp)2]2+ cations. Besides, there is an increase in the SCO temperature to 195/202 K with a hysteresis of ca. 7 K. In the dehydrated phase, only one of the two independent [Fe(bpp)2]2+ cations shows the SCO, whereas the second one remains in a high spin configuration at any temperature. In addition, compound 1 exhibits the LIESST (light-induced excited spin-state trapping) effect with a TLIESST of ca. 70 K.
XFEL and HHG interaction with matter: Effects of ultrashort pulses and random spikes
Authors: Rosmej F. B. , Astapenko V. A. , Khramov E. S.
Published: March 2021

The theory of photoionization describing the interaction of x-ray free-electron laser (XFEL) pulses and high-harmonic-generated (HHG) radiation is generalized to ultrashort laser pulses, where the concept of the standard ionization probability per unit time in Fermi’s golden rule and in Einstein’s theory breaks down. Numerical calculations carried out in terms of a generalized photoionization probability for the total duration of pulses in the near-threshold regime demonstrate essentially nonlinear behavior, while absolute values may change by orders of magnitude for typical XFEL and HHG pulses. XFEL self-amplified spontaneous emission pulses are analyzed to reveal general features of photoionization for random and regular spikes: the dependences of the nonlinear photoionization probability on carrier frequency and spike duration are very similar, allowing an analytical expectation value approach that is valid even when there is only limited knowledge of random and regular parameters. Numerical simulations carried out for typical parameters demonstrate excellent agreement.
Using isotopologues to probe the potential energy surface of reactions of C2H2++C3H4
Authors: Greenberg James , Schmid Philipp C. , Thorpe James H. , Nguyen Thanh L. , Catani Katherine J. , Krohn Olivia A. , Miller Mikhail I. , Stanton John F. , Lewandowski H. J.
Published: March 2021

Investigations into bimolecular reaction kinetics probe the details of the underlying potential energy surface (PES), which can help to validate high-level quantum chemical calculations. We utilize a combined linear Paul ion trap with a time-of-flight mass spectrometer to study isotopologue reactions between acetylene cations (C2H2+) and two isomers of C3H4: propyne (HC3H3) and allene (H2C3H2). In a previous study [Schmid et al., Phys. Chem. Chem. Phys. 22, 20303 (2020)],1 we showed that the two isomers of C3H4 have fundamentally different reaction mechanisms. Here, we further explore the calculated PES by isotope substitution. While isotopic substitution of reactants is a standard experimental tool in the investigation of molecular reaction kinetics, the controlled environment of co-trapped, laser-cooled Ca+ ions allows the different isotopic reaction pathways to be followed in greater detail. We report branching ratios for all of the primary products of the different isotopic species. The results validate the previously proposed mechanism: propyne forms a bound reaction complex with C2H2+, while allene and C2H2+ perform long-range charge exchange only.
Investigation of target erosion profiles sputter-eroded by a low-energy broad ion beam
Authors: Sakiew Wjatscheslaw , Klocke Eileen , Ristau Detlev
Published: March 2021

The demand for ion beam sputtering (IBS) coated substrates is growing. In order to find new fields of application for IBS coating technology, it is necessary to understand in detail the distributions of the involved particles in an industrial-scale reactive coating process. In pursuit of this goal, in the present investigation, profiles sputter-eroded from tantalum, silicon, and silicon dioxide targets by a low-energy broad ion beam (ion energy ≤ 1.9 keV, ion source RIM-20) are measured with a mechanical profilometer and compared. To approximate the discrete and two-dimensional erosion data accurately, an empirical function is developed. For an applied target tilt angle of 55°, the results indicate that the actual angle-dependent ion–solid interaction mechanisms at the atomic level have a rather subordinate role in the macroscopic surface modification of the target in terms of the qualitative distribution of the erosion profile. The applied process geometry seems to have a much larger impact. Furthermore, in the case of silicon, a linear erosion rate as a function of erosion time is observed. Thus, the form of the broad erosion profile does not seem to have a measurable effect on the erosion rate.
Long-Chained Pyridinium
Authors: Li Lingdong , Jia Dongxue , Zhang Guangqing , Ma Hanxue
Published: March 2021

Two types of long-chained pyridinium N-chloramines were designed and synthesised by covalent linking a N-chloramine unit and a long intact alkyl chain via varied alkylation of 3-hydroxypyridine. Preliminary antibacterial tests showed that both synthetic pyridinium N-chloramines exerted distinctively elevated biocidal efficacy in contrast to previously reported pyridinium N-chloramines that lack a long chain. Such enhanced bactericidal behaviour was probably caused by ‘synergistic’ biocidal action between the N-chloramine moiety and the long-chained pyridinium moiety.
ZYP1 is required for obligate cross-over formation and cross-over interference inArabidopsis
Authors: France Martin G. , Enderle Janina , Röhrig Sarah , Puchta Holger , Franklin F. Chris H. , Higgins James D.
Published: March 2021

Significance

The synaptonemal complex (SC) is a meiosis-specific proteinaceous ultrastructure required to ensure cross-over (CO) formation in the majority of sexually reproducing eukaryotes. It is composed of two lateral elements adjoined by transverse filaments. Even though the general structure of the SC is conserved throughout kingdoms, phenotypic differences between mutants perpetuate the enigmatic role of the SC. Here, we have used genetic and cytogenetic approaches to show that the transverse filament protein, ZYP1, acts on multiple pathways of meiotic recombination inArabidopsis. ZYP1 is required for CO assurance, thus ensuring that every chromosome pair receives at least one CO. ZYP1 limits the number of COs and mediates CO interference, the phenomenon that reduces the probability of multiple COs forming close together.