bluuebunny/crossref_metadata_2025_split huggingface dataset:
Active learning boosted computational discovery of covalent–organic frameworks for ultrahighCH4storage
Authors: Tang Hongjian , Jiang Jianwen 
Published: August 2022

AbstractAs an environmental‐benign fuel, methane (CH4) has received considerable interest for developing high‐capacity energy storage systems. Herein, we aim to rapidly discover covalent–organic frameworks (COFs) for ultrahigh CH4storage among 530,000+ COFs, including one experimental (Curated) and two hypothetical (Berkeley and Genomic) databases. First, the feature space of all the three COF databases is projected by t‐Distributed Stochastic Neighbor Embedding (t‐SNE) technique, which reveals a potential but unexplored regime in Genomic COFs. Subsequently, an active learning (AL) approach is developed by integrating parallel acquisition with molecular simulation to efficiently explore Genomic COFs. The parallel AL model demonstrates remarkable screening efficiency and shortlists top COFs by evaluating only 50 out of 445,845 Genomic COFs. A record‐breaking Genomic COF is identified with CH4deliverable capacity of 222.2 v/v, surpassing the current world record (208.0 v/v from experiment and 217.9 v/v from simulation). Our AL approach is significantly faster than brute‐force simulation and conventional machine learning, it would accelerate the discovery of advanced porous materials for broad applications.
Nahinfrarotlicht‐induzierte radikalische Polymerisation in Wasser
Authors: Neidinger Philipp , Davis Joshua , Voll Dominik , Jaatinen Esa A. , Walden Sarah L. , Unterreiner Andreas N. , Barner‐Kowollik Christopher 
Published: August 2022

AbstractWir stellen eine auf Goldnanostäbchen (AuNR) basierende Methode vor, um eine radikalische Polymerisation in Wasser mit Nahinfrarotlicht (800 nm) zu induzieren. Der Prozess nutzt die photothermische Umwandlung in AuNR und die anschließende Wärmeübertragung auf einen Radikalinitiator (hier Azobisisobutyronitril) für die primäre Radikalbildung. Es wurde ein breites Spektrum an Reaktionsbedingungen untersucht, wobei die Kontrolle über das Molekulargewicht und den Reaktionsumsatz von Dimethylacrylamidpolymeren mit Hilfe der kernmagnetischen Resonanzspektroskopie nachgewiesen wurde. Wir untermauern unsere experimentellen Daten mit einer Finite‐Elemente‐Simulation des räumlich‐zeitlichen Temperaturprofils in der Umgebung der AuNR direkt nach der Anregung durch Femtosekunden‐Laserpulse. Wir weisen nach, dass die Polymerisation, aufgrund erhöhter Eindringtiefe des Nahinfrarotlichts, durch biologisches Gewebe induziert werden kann. Wir sind der Meinung, dass der vorgestellte Initiierungsmechanismus in wässrigen Systemen vielversprechend für die radikale Polymerisation in biologischen Umgebungen, einschließlich Zellen, ist.
Evaluation of visual encounter surveys as a method for the rapid assessment of fish presence and relative density in high mountain lakes
Authors: Tiberti Rocco , Buchaca Teresa , Cruset Eloi , Iacobelli Laura , Maini Melissa , Osorio Víctor , Puig Mariàngels , Pou‐Rovira Quim , Sabás Ibor , Ventura Marc 
Published: August 2022

Abstract

Introduced fish are a widespread ecological threat in originally fishless high mountain lakes. However, basic distribution data are largely missing for most high mountain regions.
Using time‐consuming standard methods (e.g. Nordic standard fishing nets) to assess fish distribution and relative densities at a relevant spatial scale can be impracticable, because of the large number of high mountain lakes. To overcome this problem, alternative rapid monitoring methods would be helpful.
Visual encounter survey (VES) is a candidate method that enables observing fish from the shoreline. It takes only minutes to implement and is already widely used for amphibian monitoring in high mountain lakes and ponds. VES was evaluated as a method for monitoring introduced salmonids and cyprinids (the most widespread fish families) in 52 high mountain lakes.
The probability of detecting both families by VES rapidly approaches 100% as the relative densities of fish increase, and false absences are restricted to populations living at low relative densities. VES also provides simple indications about fish relative densities, distinguishing between high‐density and low‐density populations.
As VES usually does not enable fish species identifications, we propose VES as a useful method to describe large fish distribution inventories, not needing high taxonomic detail, but necessary for planning large‐scale conservation measures.
Complete mitochondrial genome of Pectocera sp. (Elateridae: Dendrometrinae: Oxynopterini) and its phylogenetic implications
Authors: He Jinwu , Yao Yuhao , Dong Zhiwei , Ruan Yongying , Chang Zhou , Zhao Ruoping , Wang Wen , Li Xueyan 
Published: August 2022

AbstractThe Elateridae family (click beetles) represents a highly diverse lineage that possesses a specialized clicking mechanism to startle predators. At present, however, phylogenetic relationships, especially among recognized subfamilies, remain contentious. Mitochondrial genomes (mitogenomes) can help resolve previously intractable phylogenetic relationships using morphological or limited molecular data. Here, we report the complete mitogenome of Pectocera sp. (Elateridae: Dendrometrinae: Oxynopterini), which was 15,962 bp in length and showed a typical gene number and order as most beetle mitogenomes, including 13 protein‐coding genes (PCGs), 22 transfer RNA genes, 2 ribosomal RNA genes, and 1 noncoding control region (AT‐rich region). Comparative genomic analyses showed a high degree of feature similarity among Pectocera sp. and other click beetles. Evolutionary analysis of all PCGs based on the nonsynonymous/synonymous substitution rate ratio (ω) indicated that cox1 and atp8 exhibited the lowest and highest evolutionary rates, respectively, and that the evolutionary rates of all PCGs, except for cox3, nad2, and nad3, were lower than the average ω of click beetles. Phylogenetic analyses based on concatenated and coalescent approaches indicated that Pectocera sp. was sister to Campsosternus auratus in the same tribe (Oxynopterini) with high support. This study offers insight into the mitogenomic basis of Pectocera sp. and provides an important data resource for exploring the taxonomy, phylogeny, and evolution of click beetles.
The Preparation of Diaryl Sulfoxinium Triflates and Their Application in Palladium‐Catalyzed Cross‐Coupling Reactions
Authors: Wang Chenyang , Wang Xianliang , Kong Deshen , Truong Khai‐Nghi , Rissanen Kari , Bolm Carsten 
Published: August 2022

AbstractTreatment ofN‐methyl‐S,S‐diaryl sulfoximines with methyl trifluoromethanesulfonate provides bench‐stable sulfoxinium salts in excellent yields. Applying them in Sonogashira‐, Heck‐ and Suzuki‐type cross‐coupling reactions leads to the corresponding products by sequential C−S bond cleavage and C−C bond formation. Electronic factors induced by substituents on theS‐aryl groups govern the coupling efficiency.
One‐pot synthesis of copper nanocluster/Tb‐MOF composites for the ratiometric fluorescence detection of Cu2+
Authors: Liu Piaotong , Hao Rusi , Sun Wenliang , Lin Ziyi , Jing Tianfeng 
Published: August 2022

AbstractThe increasing degradation of ecosystems due to heavy metal residues has led to environment and food contamination, prompting the development of convenient platforms for monitoring heavy metals. Here, a new dual‐emission fluorescent sensor CuNCs@Tb@UiO‐66‐(COOH)2 for the detection of copper ions (Cu2+) has been synthesized using one‐pot encapsulation of Tb(III) and glutathione‐stabilized copper nanoclusters (CuNCs) into metal–organic frameworks (MOFs) UiO‐66‐(COOH)2. In this ratiometric sensor, the fluorescence intensity of Tb3+ decreased significantly upon the addition of Cu2+, whereas that of CuNCs showed good stability, together with an apparent colour change. Therefore, ratiometric fluorescence detection of Cu2+ can be accomplished by measuring the ratio of the fluorescence intensity at the 450 nm (F450) wavelength of CuNCs to the 548 nm (F548) emission of Tb3+ in the fluorescence spectra of the CuNCs@Tb@UiO‐66‐(COOH)2 suspension. Moreover, the obtained fluorescent probe showed good results in the detection of actual samples. This work can provide the basis of method for the exploration of ratiometric fluorescence and visual sensors of trace pollutants analysis in complicated samples.
Rsn‐2‐mediated directed foam enrichment of β‐lactamase
Authors: Krause Thomas , Keshavarzi Behnam , Dressel Jannes , Heitkam Sascha , Ansorge‐Schumacher Marion B. 
Published: August 2022

AbstractToday, the availability of methods for the activity‐preserving and cost‐efficient downstream processing of enzymes forms a major bottleneck to the use of these valuable tools in technical processes. A promising technology appears to be foam fractionation, which utilizes the adsorption of proteins at a gas–liquid interface. However, the employment of surfactants and the dependency of the applicability on individual properties of the target molecules are considerable drawbacks. Here, we demonstrate that a reversible fusion of the large, surface‐active protein Ranaspumin‐2 (Rsn‐2) to a β‐lactamase (Bla) enabled both surfactant‐free formation of a stable foam and directed enrichment of the enzyme by the foaming. At the same time, Bla maintained 70% of its catalytic activity, which was in stark contrast to the enzyme without fusion to Rsn‐2. Rsn‐2 predominantly mediated adsorption. Comparable results were obtained after fusion to the structurally more complex penicillin G acylase (PGA) as the target enzyme. The results indicate that using a surface‐active protein as a fusion tag might be the clue to the establishment of foam fractionation as a general method for enzyme downstream processing.
BMAL1 promotes colorectal cancer cell migration and invasion through ERK‐ and JNK‐dependent c‐Myc expression
Authors: Shan Lina , Zheng Wenqian , Bai Bingjun , Hu Jinghui , Lv Yiming , Chen Kangke , Wang Xiaowei , Pan Yangtao , Huang Xuefeng , Zhu Hongbo , Dai Sheng 
Published: August 2022

AbstractBackgroundCancer metastasis is still a life threat to patients with colorectal cancer (CRC). Brain and muscle ARNT‐like protein 1 (BMAL1) is an important biological proteins that can regulate the behavior of cancer cells and their response to chemotherapy. However, the role of BMAL1 in the tumorigenic phenotype of CRC remains unclear. Here, we aim to investigate the functional role and mechanisms of BMAL1 in CRC.MethodsThe mRNA expression of BMAL1 was studied using the Cancer Genome Atlas (TCGA) databases. The protein level in clinical tissues was confirmed by immunohistochemistry (IHC). The effects of BMAL1 on the epithelial‐to‐mesenchymal transition (EMT) and proliferation of CRC cell lines (including BMAL1 overexpressed or silencing cells) were studied by Transwell, wound healing, CCK‐8 and colony formation experiments. A series of experiments were conducted to demonstrate the mechanisms of BMAL1 regulating EMT and cancer proliferation in vitro and in vivo.ResultsWe found that BMAL1 expression was closely related to the poor prognosis of CRC. BMAL1 overexpression promoted cell proliferation and migration. Mechanistically, we found that BMAL1 may activate the epithelial‐to‐mesenchymal transition (EMT) pathway and induce the β‐catenin release further promotes the expression of oncogene c‐Myc and the migration of colorectal cells by activating MAPK pathway. However, BMAL1 silencing achieved the opposite effect. In addition, blocking MAPK‐signaling pathway with specific inhibitors of ERK1/2 and JNK can also downregulate the expressions of c‐Myc in vitro. Taken together, these results suggested that the BMAL1/ c‐Myc‐signaling pathway may regulate the metastasis of CRC through the JNK/ERK1/2 MAPK‐dependent pathway.ConclusionsOur study showed that BMAL1 promotes CRC metastasis through MAPK‐c‐Myc pathway. These results deepen our understanding of the relationship between BMAL1 and tumorigenic phenotypes, which may become a promising therapeutic target for BMAL1 overexpressing CRC.
Understanding the supporters and opponents of Myanmar's civil disobedience movement against the military coup in 2021
Authors: Putra Idhamsyah Eka , Shadiqi Muhammad Abdan 
Published: August 2022

AbstractIn February 2021, the Myanmar military carried out a coup d'etat, which was then followed by a wave of civil protests. The present study aims to understand the support among people from Southeast Asia (specifically Indonesia) for the people of Myanmar who are fighting against a military coup. The data were collected from Muslim participants (N = 209) and non‐Muslim participants (N = 192) in Indonesia. The findings indicate that the perceived country's internal problems, support for human rights in Myanmar, and the perceived country's important position in Southeast Asia are among the strongest predictors of the intention to support collective movements in other countries. Considerably, lack of empathy and how the victim/disadvantaged groups are perceived, like whether they have a negative rapport in treating other groups, also play a key role in the endorsement of solidarity. It is suggested that the dynamic relationships between these factors need to be considered to find ways to foster humanitarian solidarity. Please refer to the Supplementary Material section to find this article'sCommunity and Social Impact Statement.
Distillation of human–object interaction contexts for action recognition
Authors: Almushyti Muna , Li Frederick W. B. 
Published: August 2022

AbstractModeling spatial‐temporal relations is imperative for recognizing human actions, especially when a human is interacting with objects, while multiple objects appear around the human differently over time. Most existing action recognition models focus on learning overall visual cues of a scene but disregard a holistic view of human–object relationships and interactions, that is, how a human interacts with respect to short‐term task for completion and long‐term goal. We therefore argue to improve human action recognition by exploiting both the local and global contexts of human–object interactions (HOIs). In this paper, we propose the Global‐Local Interaction Distillation Network (GLIDN), learning human and object interactions through space and time via knowledge distillation for holistic HOI understanding. GLIDN encodes humans and objects into graph nodes and learns local and global relations via graph attention network. The local context graphs learn the relation between humans and objects at a frame level by capturing their co‐occurrence at a specific time step. The global relation graph is constructed based on the video‐level of human and object interactions, identifying their long‐term relations throughout a video sequence. We also investigate how knowledge from these graphs can be distilled to their counterparts for improving HOI recognition. Finally, we evaluate our model by conducting comprehensive experiments on two datasets including Charades and CAD‐120. Our method outperforms the baselines and counterpart approaches.
DermatoFibroSarcoma Protuberans: A case report of a complete cure
Authors: Pudasaini Prajwal , Paudel Sushil , Adhikari Sadiksha , Kafle Monique 
Published: August 2022

AbstractDermatoFibroSarcoma Protuberans (DFSP) is a rare recurrent fibrohistiocytic tumor. Given the limitation of available diagnostic modalities in a resource poor setting, diagnosis can be confusing. As most of the tumors recur with time, our case of complete cure was interesting phenomenon observed in our case.
Ru‐catalyzed Formation of Thiosilanes and Selenosilanes using Dichalcogenides as a User‐Friendly Alternative to Thiols and Selenols
Authors: Kuciński Krzysztof , Gruszczyński Marcin , Hreczycho Grzegorz 
Published: August 2022

AbstractA ruthenium‐catalyzed reaction for the selective transformation of disulfides (and diselenides) into their silyl (and germyl) counterparts has been developed, as the first example of a thiol/thiolate‐free protocol. Our strategy employs commercially available ruthenium dodecacarbonyl as the catalyst in combination with user‐friendly hydrosilanes (and hydrogermanes) and odorless dichalcogenides (S, Se). Further derivatization of heteroaryl halides into unsymmetrical sulfides demonstrated the synthetic potential of the obtained silylthioethers.
Nonbonding/Bonding Molecular Orbital Regulation of Nitrogen‐Boron‐Oxygen‐embedded Blue/Green Multiresonant TADF Emitters with High Efficiency and Color Purity
Authors: Liu Guanting , Sasabe Hisahiro , Kumada Kengo , Arai Hiroki , Kido Junji 
Published: August 2022

AbstractInvited for the cover of this issue is the group of H. Sasabe and J. Kido at Yamagata University in Japan. The image depicts the molecular structures of N−B−O embedded multi‐resonant thermally activated delayed fluorescent (MR‐TADF) emitters, which achieved ultra‐pure deep‐blue/green emission with high efficiency in OLEDs. Read the full text of the article at 10.1002/chem.202201605.
Correlation of the Ki67 Working Group prognostic risk categories with the Oncotype DX Recurrence Score in early breast cancer
Authors: Patel Rima , Hovstadius Malin , Kier Melanie W. , Moshier Erin L. , Zimmerman Brittney S. , Cascetta Krystal , Jaffer Shabnam , Sparano Joseph A. , Tiersten Amy 
Published: August 2022

BackgroundThe relationship between Ki67 assessed by immunohistochemistry (IHC) and the Oncotype DX Recurrence Score (RS) is unclear. The objective of this study was to determine the correlation between the 21‐gene RS and IHC‐measured Ki67 with the prognostic classification groups recommended by the International Ki67 Working Group (IKWG).MethodsThe authors performed a retrospective chart review of women who had hormone receptor (HR)–positive, human epidermal growth factor receptor 2–negative early breast cancer with zero to three positive lymph nodes and both Ki67 and the 21‐gene RS performed at their institution from 2013 to 2021. Patients were categorized into low (≤5%), intermediate (6%–29%), and high Ki67 groups (≥30%) according to IKWG recommendations. Overall agreement and risk‐stratified agreement between Ki67 and RS were assessed with the proportion of agreement and the κ statistic.ResultsThe study included 525 patients with HR‐positive breast cancer. Among the 49% of patients with intermediate Ki67 values of 6%–29%, the distribution of low (0–10), intermediate (11–25), and high RS (26–100) was 19%, 66%, and 15%, respectively. There was slight agreement (κ = 0.01–0.20) between Ki67 and RS (κ = 0.027) in the overall population, although this was not significant (p = .1985). There was fair agreement (κ = 0.21–0.40) between high Ki67 and RS values (κ = 0.280; p < .0001). A higher progesterone receptor percentage was associated with lower RS values (p > .0001) but not lower Ki67 values. A positive nodal status and a larger tumor size were associated with higher Ki67 values (p = .0059 and p < .0001) but not with RS.ConclusionsIn this group of patients selected to have a 21‐gene RS, there was no significant correlation between Ki67 and RS in the overall population, and there was fair agreement between high Ki67 and high RS values.Lay summary

In patients with early‐stage, hormone receptor–positive breast cancer, decisions on adjuvant chemotherapy are based on certain biological features of the cancer and genomic assays such as the Oncotype DX Recurrence Score (RS).

The goal of this study was to determine the correlation between Ki67, a marker of proliferation, and the Oncotype DX RS, a 21‐gene assay demonstrated to be predictive of an adjuvant chemotherapy benefit in patients with early‐stage breast cancer.

In 525 patients, the authors did not find a significant correlation between Ki67 and RS.
The impact of obesity and endocrine therapy on the prognosis of premenopausal women with hormone receptor‐positive breast cancer: A single‐institute retrospective study
Authors: Ozaki Yukinori , Masuda Jun , Kataoka Akemi , Kogawa Takahiro , Abe Tomomi , Morizono Hidetomo , Inagaki Lina , Hara Fumikata , Takano Toshimi , Ueno Takayuki , Ohno Shinji 
Published: August 2022

AbstractBackgroundHigher body mass index (BMI) is associated with worse prognosis in pre‐ and postmenopausal patients with breast cancer (BC). However, there is insufficient evidence regarding the optimal adjuvant endocrine therapy for obese premenopausal women with hormone receptor (HR)‐positive BC.AimTo evaluate the impact of obesity and adjuvant endocrine therapy on prognosis in premenopausal patients with BC.Methods and resultsWe retrospectively reviewed the medical record of premenopausal women who received curative surgery for clinical stage I–III HR‐positive BC from 2007 to 2017. Patients were classified into five groups according to BMI: underweight (UW), normal weight (NW), obese 1 degree (OB1), obese 2 degree (OB2), and obese 3 degree (OB3) categories. The primary analysis was a comparison of BC‐specific survival (BCSS) according to BMI (UW/NW vs. OB1–3) and adjuvant endocrine therapy (with or without ovarian function suppression [OFS]).Of 13 021 patients, the data of 3380 patients were analyzed. BCSS in OB1–3 patients was significantly worse than that in patients with UW/NW (hazard ratio [HR] 2.37; 95% confidence interval [CI], 1.40–4.02: p = .0009). In OB1–3 patients who received tamoxifen (TAM), BCSS was significantly worse than that in UW/NW patients (p = .0086); however, a significant difference was not shown in patients who received TAM and OFS (p = .0921).ConclusionHigh BMI was associated with worse prognosis in premenopausal patients with HR‐positive BC who received adjuvant TAM. The role of OFS as adjuvant endocrine therapy remains unclear, and further studies are required to explore the adequate management of obese premenopausal patients.
Block chain enabled auditing with optimal multi‐key homomorphic encryption technique for public cloud computing environment
Authors: Bandaru Venkata Naga Rani , Visalakshi P 
Published: August 2022

SummaryCloud storage is a significant cloud computing (CC) service which enables the client to save and retrieve the data at anytime and anywhere. Due to the increased demand and familiarity of the CC environment, different kinds of security threats and susceptibilities are raised. Data integrity and privacy are the major problems in CC environment where the data can be saved in distinct geographic regions. So, privacy preservation and data integrity become important factors of the user concern related to the CC environment. Several auditing protocols are majorly dependent upon the conventional public key infrastructure, which led to high computational complexity and it is unsuitable for the setting of multiple users. To resolve these issues, this study develops a new block chain enabled auditing with optimal multi‐key homomorphic encryption (BEA‐OMKHE) technique for public cloud environment. The proposed BEA‐OMKHE technique aims to assure data integrity, security, and auditing in public cloud storage. Besides, an OMKHE technique is derived to accomplish data integrating into the cloud environment by the design of end to end encryption system. A secure generation of keys and encryption processes are carried out by the use of MKHE technique; thereby the data becomes highly secure. In addition, the choice of keys is performed by the improved beetle antenna search optimization (IBAS) algorithm. Therefore, the proposed BEA‐OMKHE technique offers an efficient way of enhancing the data integrity in CC method. The performance validation of the BEA‐OMKHE technique takes place and the results are inspected under various aspects. The comparative result analysis ensured the betterment of the BEA‐OMKHE technique interms of different measures such as communication cost, encryption time, decryption time, computation cost, privacy preserving rate, and authentication accuracy.