bluuebunny/crossref_metadata_2025 huggingface dataset:
Pepinemab antibody blockade of SEMA4D in early Huntington’s disease: a randomized, placebo-controlled, phase 2 trial
Authors: Feigin Andrew , Evans Elizabeth E. , Fisher Terrence L. , Leonard John E. , Smith Ernest S. , Reader Alisha , Mishra Vikas , Manber Richard , Walters Kimberly A. , Kowarski Lisa , Oakes David , Siemers Eric , Kieburtz Karl D. , Zauderer Maurice ,   the Huntington Study Group SIGNAL investigators, Kayson Elise , Goldstein Jody , Barbano Richard , Marder Karen , Dayalu Praveen , Rosas Herminia Diana , Kostyk Sandra , Kamholz John , Racette Brad , Bang Jee , Claassen Daniel , McDonell Katherine , Factor Stewart , Walker Francis , Goas Clarisse , Wojcieszek Joanne , Raymond Lynn A. , Corey-Bloom Jody , Sung Victor , Dean Marissa , Geshwind Michael , Nelson Alexandra , Frank Samuel , LaFaver Kathrin , Duker Andrew , Elmer Lawrence , Samii Ali , Lin Yi-Han , Chouinard Sylvain , Seeberger Lauren , Scott Burton , Boyd James , McFarland Nikolaus , Stimming Erin Furr , Suchowersky Oksana , Testa Claudia , Anderson Karen
Published: August 2022

SIGNAL is a multicenter, randomized, double-blind, placebo-controlled phase 2 study (no. NCT02481674) established to evaluate pepinemab, a semaphorin 4D (SEMA4D)-blocking antibody, for treatment of Huntington’s disease (HD). The trial enrolled a total of 265 HD gene expansion carriers with either early manifest (EM, n = 179) or late prodromal (LP, n = 86) HD, randomized (1:1) to receive 18 monthly infusions of pepinemab (n = 91 EM, 41 LP) or placebo (n = 88 EM, 45 LP). Pepinemab was generally well tolerated, with a relatively low frequency of serious treatment-emergent adverse events of 5% with pepinemab compared to 9% with placebo, including both EM and LP participants. Coprimary efficacy outcome measures consisted of assessments within the EM cohort of (1) a two-item HD cognitive assessment family comprising one-touch stockings of Cambridge (OTS) and paced tapping (PTAP) and (2) clinical global impression of change (CGIC). The differences between pepinemab and placebo in mean change (95% confidence interval) from baseline at month 17 for OTS were −1.98 (−4.00, 0.05) (one-sided P = 0.028), and for PTAP 1.43 (−0.37, 3.23) (one-sided P = 0.06). Similarly, because a significant treatment effect was not observed for CGIC, the coprimary endpoint, the study did not meet its prespecified primary outcomes. Nevertheless, a number of other positive outcomes and post hoc subgroup analyses—including additional cognitive measures and volumetric magnetic resonance imaging and fluorodeoxyglucose–positron-emission tomography imaging assessments—provide rationale and direction for the design of a phase 3 study and encourage the continued development of pepinemab in patients diagnosed with EM HD.
Transcriptome analyses of nine endocrine tissues identifies organism-wide transcript distribution and structure in the Siberian hamster
Authors: Stewart Calum , Hamilton Graham , Marshall Christopher J. , Stevenson Tyler J.
Published: August 2022

Temperate zone animals exhibit seasonal variation in multiple endocrine systems. In most cases, peripheral organs display robust switches in tissue involution and recrudescence in mass. Our understanding of the molecular control of tissue-specific changes in seasonal function remains limited. Central to this problem is the lack of information on the nucleic acid structure, and distribution of transcripts across tissues in seasonal model organisms. Here we report the transcriptome profile of nine endocrine tissues from Siberian hamsters. Luteinizing hormone receptor expression was localized to gonadal tissues and confirmed previous distribution analyses. Assessment of the prolactin receptor reveal relatively high abundance across tissues involved in reproduction, energy, and water homeostasis. Neither melatonin receptor-1a, nor -1b, were found to be expressed in most tissues. Instead, the closely related G-protein coupled receptor Gpr50 was widely expressed in peripheral tissues. Epigenetic enzymes such as DNA methyltransferase 3a, was widely expressed and the predominant DNA methylation enzyme. Quantitative PCR analyses revealed some sex- and tissue-specific differences for prolactin receptor and DNA methyltransferase 3a expression. These data provide significant information on the distribution of transcripts, relative expression levels and nucleic acid sequences that will facilitate molecular studies into the seasonal programs in mammalian physiology.
Dimerization processes for light-regulated transcription factor Photozipper visualized by high-speed atomic force microscopy
Authors: Tsuji Akihiro , Yamashita Hayato , Hisatomi Osamu , Abe Masayuki
Published: August 2022

Dimerization is critical for transcription factors (TFs) to bind DNA and regulate a wide variety of cellular functions; however, the molecular mechanisms remain to be completely elucidated. Here, we used high-speed atomic force microscopy (HS-AFM) to observe the dimerization process for a photoresponsive TF Photozipper (PZ), which consists of light–oxygen–voltage-sensing (LOV) and basic-region-leucine-zipper (bZIP) domains. HS-AFM visualized not only the oligomeric states of PZ molecules forming monomers and dimers under controlled dark–light conditions but also the domain structures within each molecule. Successive AFM movies captured the dimerization process for an individual PZ molecule and the monomer–dimer reversible transition during dark–light cycling. Detailed AFM images of domain structures in PZ molecules demonstrated that the bZIP domain entangled under dark conditions was loosened owing to light illumination and fluctuated around the LOV domain. These observations revealed the role of the bZIP domain in the dimerization processes of a TF.
Chlorophyll soft-sensor based on machine learning models for algal bloom predictions
Authors: Mozo Alberto , Morón-López Jesús , Vakaruk Stanislav , Pompa-Pernía Ángel G. , González-Prieto Ángel , Aguilar Juan Antonio Pascual , Gómez-Canaval Sandra , Ortiz Juan Manuel
Published: August 2022

Harmful algal blooms (HABs) are a growing concern to public health and aquatic ecosystems. Long-term water monitoring conducted by hand poses several limitations to the proper implementation of water safety plans. This work combines automatic high-frequency monitoring (AFHM) systems with machine learning (ML) techniques to build a data-driven chlorophyll-a (Chl-a) soft-sensor. Massive data for water temperature, pH, electrical conductivity (EC) and system battery were taken for three years at intervals of 15 min from two different areas of As Conchas freshwater reservoir (NW Spain). We designed a set of soft-sensors based on compact and energy efficient ML algorithms to infer Chl-a fluorescence by using low-cost input variables and to be deployed on buoys with limited battery and hardware resources. Input and output aggregations were applied in ML models to increase their inference performance. A component capable of triggering a 10 $$\upmu$$
μ
g/L Chl-a alert was also developed. The results showed that Chl-a soft-sensors could be a rapid and inexpensive tool to support manual sampling in water bodies at risk.
Impact on capsule formation for three different types of implant surface tomography
Authors: Jeon Hyeon Jun , Kang MyeongJae , Lee Joon Seok , Kang Jieun , Kim Eun A. , Jin Hee Kyung , Bae Jae-sung , Yang Jung Dug
Published: August 2022

Although capsular contracture remains one of the major problems following silicone breast implantation, the associated mechanism has yet to be determined. This study thus aimed to investigate capsule formation and capsular contracture using three types of implants with different surface topographies in vivo. Three types of implants (i.e., smooth, macrotexture, and nanotexture) with different surface topographies were inserted in a total of 48 Wistar rats. After 4 and 12 weeks, the samples were analyzed via histological, immunohistochemical, and Western blot examination. To identify implant movement, the degree to which implant position changed was measured. And the surface topography was characterized using scanning electron microscopy. Hematoxylin–eosin staining showed that the nanotexture type implant promoted significant decreases in capsule thickness at 12 weeks (P < 0.05), while Masson trichrome staining showed decreased collagen fiber density with the same implant type. Immunohistochemical and Western blot examination revealed reduced fibrosis markers (myofibroblast, and transforming growth factor beta-1) in the nanotexture surface implant. Meanwhile, implant location evaluation found that the nanotexture and smooth surface implants had significantly increased movement (P < 0.05). The nanotexture surface implant had been found to reduce capsule formation given that it minimizes the effects of factors related to foreign body reaction.
Extracellular vesicles derived from Wharton’s Jelly mesenchymal stem cells inhibit the tumor environment via the miR-125b/HIF1α signaling pathway
Authors: Chang Yun-Hsuan , Vuong Cat-Khanh , Ngo Nhat-Hoang , Yamashita Toshiharu , Ye Xiucai , Futamura Yasunori , Fukushige Mizuho , Obata-Yasuoka Mana , Hamada Hiromi , Osaka Motoo , Hiramatsu Yuji , Sakurai Tetsuya , Ohneda Osamu
Published: August 2022

Triple negative breast cancer (TNBC) is associated with worse outcomes and results in high mortality; therefore, great efforts are required to find effective treatment. In the present study, we suggested a novel strategy to treat TNBC using mesenchymal stem cell (MSC)-derived extracellular vesicles (EV) to transform the behaviors and cellular communication of TNBC cells (BCC) with other non-cancer cells related to tumorigenesis and metastasis. Our data showed that, BCC after being internalized with EV derived from Wharton’s Jelly MSC (WJ-EV) showed the impaired proliferation, stemness properties, tumorigenesis and metastasis under hypoxic conditions. Moreover, these inhibitory effects may be involved in the transfer of miRNA-125b from WJ-EV to BCC, which downregulated the expression of HIF1α and target genes related to proliferation, epithelial-mesenchymal transition, and angiogenesis. Of note, WJ-EV-internalized BCC (wBCC) showed transformed behaviors that attenuated the in vivo development and metastatic ability of TNBC, the angiogenic abilities of endothelial cells and endothelial progenitor cells and the generation of cancer-associated fibroblasts from MSC. Furthermore, wBCC generated a new EV with modified functions that contributed to the inhibitory effects on tumorigenesis and metastasis of TNBC. Taken together, our findings suggested that WJ-EV treatment is a promising therapy that results in the generation of wBCC to interrupt the cellular crosstalk in the tumor environment and inhibit the tumor progression in TNBC.
Exposure assessment of 170 pesticide ingredients and derivative metabolites in people from the Central Andes of Peru
Authors: Honles Jorge , Clisson Claire , Monge Claudia , Vásquez-Ocmín Pedro , Cerapio Juan Pablo , Palamy Sysay , Casavilca-Zambrano Sandro , Herrera Javier , Pineau Pascal , Deharo Eric , Peynet Vincent , Bertani Stéphane
Published: August 2022

The Central Andes of Peru are a region of great concern regarding pesticide risk to the health of local communities. Therefore, we conducted an observational study to assess the level of pesticide contamination among Andean people. Analytical chemistry methods were used to measure the concentrations of 170 pesticide-related compounds in hair samples from 50 adult Andean subjects living in rural and urban areas. As part of the study, a questionnaire was administered to the subjects to collect information regarding factors that increase the risk of pesticide exposure. Our results indicate that Andean people are strongly exposed to agrochemicals, being contaminated with a wide array of pesticide-related compounds at high concentration levels. Multivariate analyses and geostatistical modeling identified sociodemographic factors associated with rurality and food origin that increase pesticide exposure risk. The present study represents the first comprehensive investigation of pesticide-related compounds detected in body samples collected from people living in the Central Andes of Peru. Our findings pinpoint an alarming environmental situation that threatens human health in the region and provide a rationale for improving public policies to protect local communities.
A comparison of various methods for measuring breast density and breast tissue composition in adolescent girls and women
Authors: Kehm Rebecca D. , Walter E. Jane , Pereira Ana , White Melissa L. , Oskar Sabine , Michels Karin B. , Shepherd John A. , Lilge Lothar , Terry Mary Beth
Published: August 2022

This study compared different approaches to measuring breast density and breast tissue composition (BTC) in adolescent girls (n = 42, aged 14–16 years) and their mothers (n = 39, aged 36–61 years) from a cohort in Santiago, Chile. Optical spectroscopy (OS) was used to measure collagen, water, and lipid concentrations, which were combined into a percent breast density index (%BDI). A clinical dual-energy X-ray absorptiometry (DXA) system calibrated to measure breast density provided percent fibroglandular volume (%FGV) from manually delineated images. After digitizing mammogram films, the percent mammographic breast density (%MBD) was measured using computer-assisted software. Partial correlation coefficients (rpartial) were used to evaluate associations between breast density measures and BTC from these three different measurement approaches, adjusting for age and body mass index. %BDI from OS was associated with %FGV from DXA in adolescent girls (rpartial = 0.46, p-value = 0.003), but not in mothers (rpartial = 0.17, p-value = 0.32). In mothers, %FGV from DXA was associated with %MBD from mammograms (rpartial = 0.60, p-value < 0.001). These findings suggest that data from OS, DXA, and mammograms provide related but distinct information about breast density and BTC. Future studies should explore how the information provided by these different devices can be used for breast cancer risk prediction in cohorts of adolescent girls and women.
Limits to in vivo fate changes of epithelia in thymus and parathyroid by ectopic expression of transcription factors Gcm2 and Foxn1
Authors: Nagakubo Daisuke , Hirakawa Mayumi , Iwanami Norimasa , Boehm Thomas
Published: August 2022

The development of the parathyroid and the thymus from the third pharyngeal pouch depends on the activities of the Gcm2 and Foxn1 transcription factors, respectively, whose expression domains sharply demarcate two regions in the developing third pharyngeal pouch. Here, we have generated novel mouse models to examine whether ectopic co-expression ofGcm2in the thymic epithelium and ofFoxn1in the parathyroid perturbs the establishment of organ fates in vivo. Expression ofGcm2in the thymic rudiment does not activate a parathyroid-specific expression programme, even in the absence of Foxn1 activity. Co-expression ofFoxn1in the parathyroid fails to impose thymopoietic capacity. We conclude that the actions of Foxn1 and Gcm2 transcription factors are cell context-dependent and that they each require permissive transcription factor landscapes in order to successfully interfere with organ-specific cell fate.
Fragment size and dynamics of EGFR-mutated tumor-derived DNA provide prognostic information regarding EGFR-TKI efficacy in patients with EGFR-mutated NSCLC
Authors: Kunimasa Kei , Nishino Kazumi , Sato Yoshiharu , Mori Masahide , Ihara Shoichi , Suzuki Hidekazu , Nagatomo Izumi , Kumagai Toru , Morishima Toshitaka , Imamura Fumio
Published: August 2022

Circulating tumor DNA (ctDNA)-based next-generation sequencing (NGS) is a complementary and alternative test to tissue-based NGS. We performed NGS analysis of ctDNA samples collected from patients with EGFR-mutated non-small cell lung cancer (NSCLC) who received osimertinib; the samples were collected after second-line treatment, before osimertinib treatment, one week and one month after osimertinib treatment, and at the time of resistance formation. We examinedthe correlation with osimertinib efficacy. From January to December 2018, 34 patients with EGFR-mutated NSCLC harboring EGFR T790M mutations were enrolled, and a total of 132 peripheral blood samples were collected. The fragment sizes of EGFR-mutated ctDNAs were significantly shorter than that of their corresponding normal fragments. Osimertinib treatment of patients with shorter EGFR-mutated ctDNA fragments resulted in shorter progression-free survival (PFS). The disappearance time of EGFR-mutated fragment fractions and clonal evolution patterns (new driver mutation group, additional mutation group vs. attenuation group) were each associated with the PFS achieved with osimertinib treatment; however,multivariate analysis revealed that only shorter EGFR-mutated ctDNA fragments were associated with the PFS resulting from osimertinib treatment. EGFR-mutated ctDNA fragment size, time of disappearance of these fragments, and clonal evolution pattern were related to the effects of osimertinib. In particular, short EGFR-mutated ctDNA fragmentation may be closely related to osimertinib efficacy prediction.
A computational framework for discovering digital biomarkers of glycemic control
Authors: Bartolome Abigail , Prioleau Temiloluwa
Published: August 2022

Digital biomarkers can radically transform the standard of care for chronic conditions that are complex to manage. In this work, we propose a scalable computational framework for discovering digital biomarkers of glycemic control. As a feasibility study, we leveraged over 79,000 days of digital data to define objective features, model the impact of each feature, classify glycemic control, and identify the most impactful digital biomarkers. Our research shows that glycemic control varies by age group, and was worse in the youngest population of subjects between the ages of 2–14. In addition, digital biomarkers like prior-day time above range and prior-day time in range, as well as total daily bolus and total daily basal were most predictive of impending glycemic control. With a combination of the top-ranked digital biomarkers, we achieved an average F1 score of 82.4% and 89.7% for classifying next-day glycemic control across two unique datasets.
Cooperation of Striatin 3 and MAP4K4 promotes growth and tissue invasion
Authors: Migliavacca Jessica , Züllig Buket , Capdeville Charles , Grotzer Michael A. , Baumgartner Martin
Published: August 2022

MAP4K4 is associated with increased motility and reduced proliferation in tumor cells, but the regulation of this dichotomous functionality remained elusive. We find that MAP4K4 interacts with striatin 3 and 4 (STRN3/4) and that STRN3 and MAP4K4 exert opposing functions in Hippo signaling and clonal growth. However, depletion of either STRN3 or MAP4K4 in medulloblastoma cells reduces invasion, and loss of both proteins abrogates tumor cell growth in the cerebellar tissue. Mechanistically, STRN3 couples MAP4K4 to the protein phosphatase 2A, which inactivates growth repressing activities of MAP4K4. In parallel, STRN3 enables growth factor-induced PKCθ activation and direct phosphorylation of VASPS157 by MAP4K4, which both are necessary for efficient cell invasion. VASPS157 directed activity of MAP4K4 and STRN3 requires the CNH domain of MAP4K4, which mediates its interaction with striatins. Thus, STRN3 is a master regulator of MAP4K4 function, and disruption of its cooperation with MAP4K4 reactivates Hippo signaling and represses tissue invasion in medulloblastoma.
cfDNA methylome profiling for detection and subtyping of small cell lung cancers
Authors: Chemi Francesca , Pearce Simon P. , Clipson Alexandra , Hill Steven M. , Conway Alicia-Marie , Richardson Sophie A. , Kamieniecka Katarzyna , Caeser Rebecca , White Daniel J. , Mohan Sumitra , Foy Victoria , Simpson Kathryn L. , Galvin Melanie , Frese Kristopher K. , Priest Lynsey , Egger Jacklynn , Kerr Alastair , Massion Pierre P. , Poirier John T. , Brady Gerard , Blackhall Fiona , Rothwell Dominic G. , Rudin Charles M. , Dive Caroline
Published: August 2022

Small cell lung cancer (SCLC) is characterized by morphologic, epigenetic and transcriptomic heterogeneity. Subtypes based upon predominant transcription factor expression have been defined that, in mouse models and cell lines, exhibit potential differential therapeutic vulnerabilities, with epigenetically distinct SCLC subtypes also described. The clinical relevance of these subtypes is unclear, due in part to challenges in obtaining tumor biopsies for reliable profiling. Here we describe a robust workflow for genome-wide DNA methylation profiling applied to both patient-derived models and to patients’ circulating cell-free DNA (cfDNA). Tumor-specific methylation patterns were readily detected in cfDNA samples from patients with SCLC and were correlated with survival outcomes. cfDNA methylation also discriminated between the transcription factor SCLC subtypes, a precedent for a liquid biopsy cfDNA-methylation approach to molecularly subtype SCLC. Our data reveal the potential clinical utility of cfDNA methylation profiling as a universally applicable liquid biopsy approach for the sensitive detection, monitoring and molecular subtyping of patients with SCLC.
Cascading effects of habitat loss on ectoparasite-associated bacterial microbiomes
Authors: Speer Kelly A , Teixeira Tiago Souto Martins , Brown Alexis M , Perkins Susan L , Dittmar Katharina , Ingala Melissa R , Wultsch Claudia , Krampis Konstantinos , Dick Carl W , Galen Spencer C , Simmons Nancy B , Clare Elizabeth L
Published: August 2022

Suitable habitat fragment size, isolation, and distance from a source are important variables influencing community composition of plants and animals, but the role of these environmental factors in determining composition and variation of host-associated microbial communities is poorly known. In parasite-associated microbial communities, it is hypothesized that evolution and ecology of an arthropod parasite will influence its microbiome more than broader environmental factors, but this hypothesis has not been extensively tested. To examine the influence of the broader environment on the parasite microbiome, we applied high-throughput sequencing of the V4 region of 16S rRNA to characterize the microbiome of 222 obligate ectoparasitic bat flies (Streblidae and Nycteribiidae) collected from 155 bats (representing six species) from ten habitat fragments in the Atlantic Forest of Brazil. Parasite species identity is the strongest driver of microbiome composition. To a lesser extent, reduction in habitat fragment area, but not isolation, is associated with an increase in connectance and betweenness centrality of bacterial association networks driven by changes in the diversity of the parasite community. Controlling for the parasite community, bacterial network topology covaries with habitat patch area and exhibits parasite-species specific responses to environmental change. Taken together, habitat loss may have cascading consequences for communities of interacting macro- and microorgansims.
Biofabrication and characterization of multispecies electroactive biofilms in stratified paper-based scaffolds
Authors: Elhadad Anwar , Choi Seokheun
Published: August 2022

This work develops novel biofabrication and analysis platforms by creating innovative, paper-based 3-D systems that accurately recapitulate the structure, function, and physiology of living multispecies biofilms.
Highly sensitive electrochemical detection of myricetin in food samples based on the enhancement effect of Al-MOFs
Authors: Jiang Cuiwen , Xie Liping , Wang Yanli , Liang Jing , Li Huiling , Luo Lihong , Li Tao , Liang Zhongdan , Tang Li , Ning Dejiao , Ya Yu , Yan Feiyan
Published: August 2022

A reliable and ultrasensitive electrochemical sensor for the detection of myricetin was developed by using an aluminum-based metal–organic framework (CAU-1) modified carbon paste electrode.
Porous yet dense matrices: using ice to shape collagen 3D cell culture systems with increased physiological relevance
Authors: Parisi Cleo , Thiébot Bénédicte , Mosser Gervaise , Trichet Léa , Manivet Philippe , Fernandes Francisco M.
Published: August 2022

Porous yet dense collagen matrices obtained by ice templating allow for long-term 3D cell culture with enhanced physiological relevance.
Cobalt-plasma treatment enables structural reconstruction of a CoOx/BiVO4 composite for efficient photoelectrochemical water splitting
Authors: Liu Zhongyuan , Wu Xiaofeng , Zheng Beining , Sun Yu , Hou Changmin , Wu Jie , Huang Keke , Feng Shouhua
Published: August 2022

Cobalt-plasma sparked by a pulsed laser was utilized for the first time to modify a BiVO4 photoanode by surface structural reconstruction.
A rigidity–flexibility balance strategy enabling highly photoluminescent two-dimensional covalent organic framework nanosheets
Authors: Wang Hao , Gong Chengtao , Jin Peng , Guo Chenglong , Wang Danfeng , Xu Guodong , Peng Yongwu
Published: August 2022

A rigidity–flexibility balance strategy was proposed for constructing highly photoluminescent two-dimensional covalent organic framework nanosheets with an extremely high PLQY (43.5%).
Aliphatic tertiary amine catalysed urethane formation – a combined experimental and theoretical study
Authors: Waleed Hadeer Q. , Csécsi Marcell , Konyhás Vivien , Boros Zsanett R. , Viskolcz Béla , Fejes Zsolt , Fiser Béla
Published: August 2022

A kinetic and mechanistic investigation of the alcoholysis of phenyl isocyanate (PhNCO) using stoichiometric butan-1-ol (BuOH) in acetonitrile in the presence of different tertiary amine catalysts was performed.
Excited state deactivation mechanisms in Shikonin rationalized from its naphthoquinone parent structures
Authors: Pinto Catarina M. , Pina João , Delgado-Pinar Estefanía , Seixas de Melo J. Sérgio
Published: August 2022

Shikonin, a naphthoquinone dye and a molecule of colour, shows peculiar properties that are here fully rationalized.
Electronic spectroscopy of phthalocyanine in a supersonic jet revisited
Authors: Schlaghaufer Florian , Slenczka Alkwin
Published: August 2022

Rotationally resolved electronic spectroscopy of phthalocyanine in a supersonic jet has revealed detailed information on the configuration of both electronic states and the corresponding transition dipole moment.
Two σ- and two π-dative quadruple bonds between the s-block element and transition metal in [BeM(CO)4; M = Fe − Os]
Authors: Parambath Sneha , Parameswaran Pattiyil
Published: August 2022

The bonding interaction between the metal fragment M(CO)4 and beryllium in BeM(CO)4 (M = Fe, Ru, and Os) can be best described by dative quadruple bonds, viz., two σ and two π dative bonds.
Mechanistic insight into the disruption of Tau R3–R4 protofibrils by curcumin and epinephrine: an all-atom molecular dynamics study
Authors: Zou Yu , Qi Bote , Tan Jingwang , Sun Yunxiang , Gong Yehong , Zhang Qingwen
Published: August 2022

Binding mechanisms of Tau pentamer by curcumin and epinephrine.
A theoretical insight into excited-state decay and proton transfer ofp-nitrophenylphenol in the gas phase and methanol solution
Authors: Tang Xiu-Fang , Jia Pei-Ke , Zhao Yanying , Xue Jiadan , Cui Ganglong , Xie Bin-Bin
Published: August 2022

The excited-state decay and proton transfer mechanism ofp-nitrophenylphenol in the gas and liquid phases.
A combined theoretical and experimental study of small anthracene–water clusters
Authors: Rossich Molina Estefania , Xu Bo , Kostko Oleg , Ahmed Musahid , Stein Tamar
Published: August 2022

Water-cluster interactions with polycyclic aromatic hydrocarbons (PAHs) are of paramount interest in many chemical and biological processes.
The role of the intermediate triplet state in iron-catalyzed multi-state C–H activation
Authors: Mirzanejad Amir , Varganov Sergey A.
Published: August 2022

Fe-catalyzed C–H bond activation proceeds through a multi-state quintet–triplet–singlet mechanism mediated by large spin–orbit couplings (SOC). This mechanism is more favorable than the single-state quintet and two-state singlet–quintet mechanisms.
Investigation on anomalous thermal enhancement and temperature sensing properties of Zn3Mo2O9:Yb3+/RE3+ (RE = Er/Ho) phosphors
Authors: Liu Hang , Wang Haiyan , Zheng Xingke , Wang Pengcheng , Zhang Yuhong
Published: August 2022

In this work, Yb3+/RE3+ (RE = Er/Ho) co-doped Zn3Mo2O9 phosphors were synthesized by high-temperature solid-state reactions.
Synthesis of bi- and tetradentate poly-Lewis acids by hydroalumination of poly-alkynyl-anthracene derivatives
Authors: Aders Niklas , Lamm Jan-Hendrik , Beckmann J. Louis , Neumann Beate , Stammler Hans-Georg , Mitzel Norbert W.
Published: August 2022

Two tetra-functional Lewis-acids with a large and a small “bite width” of the cavities were synthesized; the host–guest chemistry of the large bite compound was investigated regarding chelating effects.
Comment on “Migration-assisted, moisture gradient process for ultrafast, continuous CO2 capture from dilute sources at ambient conditions” by A. Prajapati, R. Sartape, T. Rojas, N. K. Dandu, P. Dhakal, A. S. Thorat, J. Xie, I. Bessa, M. T. Galante, M. H. S. Andrade, R. T. Somich, M. V. Rebouças, G. T. Hutras, N. Diniz, A. T. Ngo, J. Shah and M. R. Singh, Energy Environ. Sci., 2022, 15, 680
Authors: Casado Juan
Published: August 2022

The title study lacks practical feasibility since it mostly ignores O2 released with CO2; underestimates the impact of vapour, SOx, and NOx on the system; anodes are unstable vs O2 evolution, and the total voltage does not match the quoted voltage.
Reply to the ‘Comment on “Migration-assisted, moisture gradient process for ultrafast, continuous CO2 capture from dilute sources at ambient conditions”’ by J. Casado, Energy Environ. Sci., 2022, 10.1039/D2EE00555G
Authors: Sartape Rohan , Prajapati Aditya , Kani Nishithan C. , Rojas Tomás , Dandu Naveen K. , Dhakal Pratik , Thorat Amey S. , Xie Jiahan , Bessa Ivan , Galante Miguel T. , Andrade Marcio H. S. , Somich Robert T. , Rebouças Marcio V. , Hutras Gus T. , Diniz Nathália , Ngo Anh T. , Shah Jindal , Singh Meenesh R.
Published: August 2022

Prajapati et al. developed a novel, robust, modular and industrially-scalable CO2 capture process that utilizes a migration-assisted moisture gradient (MAMG) process.
Correction: Peripheral halogenation engineering controls molecular stacking to enable highly efficient organic solar cells
Authors: Zou Yalu , Chen Hongbin , Bi Xingqi , Xu Xiaoyun , Wang Hebin , Lin Menglu , Ma Zaifei , Zhang Mingtao , Li Chenxi , Wan Xiangjian , Long Guankui , Zhaoyang Yao , Chen Yongsheng
Published: August 2022

Correction for ‘Peripheral halogenation engineering controls molecular stacking to enable highly efficient organic solar cells’ by Yalu Zou et al., Energy Environ. Sci., 2022, https://doi.org/10.1039/d2ee01340a.
RNA-seq reveals potential gene biomarkers in fathead minnows (Pimephales promelas) for exposure to treated wastewater effluent
Authors: Schumann Peter G. , Meade Emma B. , Zhi Hui , LeFevre Gregory H. , Kolpin Dana W. , Meppelink Shannon M. , Iwanowicz Luke R. , Lane Rachael F. , Schmoldt Angela , Mueller Olaf , Klaper Rebecca D.
Published: August 2022

An in situ stream exposure to treated wastewater effluent impacted gene expression patterns in the brain tissue of fathead minnows (P. promelas). Many of these genes may be useful as biomarkers for effluent exposure related to neurological impacts.
Design of a green chemoenzymatic cascade for scalable synthesis of bio-based styrene alternatives
Authors: Petermeier Philipp , Bittner Jan Philipp , Müller Simon , Byström Emil , Kara Selin
Published: August 2022

We present the strategic development of a synthetic onepot two-step process for the manufacture of acetyl-protected hydroxystyrenes from phenolic acid substrates using environmentally benign (bio)catalysts in an eco-friendly solvent.
The effect of water ingress on additively manufactured electrodes
Authors: Williams Rhys J. , Brine Tom , Crapnell Robert D. , Ferrari Alejandro Garcia-Miranda , Banks Craig E.
Published: August 2022

The effect of solvent ingress on additive manufacturing is reported.
A pyrazinium-based fluorescent chemosensor for the selective detection of 2,4,6-trinitrophenol in an aqueous medium
Authors: Pragya  , Saini Vaishali , Rangan Krishnan , Khungar Bharti
Published: August 2022

A fluorescent pyrazinium-based chemosensor has been synthesized, characterized, and employed for the selective detection of 2,4,6-trinitrophenol in an aqueous medium.
Lead-free broadband orange-emitting zero-dimensional Sb3+-doped indium-based organic–inorganic metal halides
Authors: Cheng Haiming , Cao Chi , Zhang Ying , Wang Dayang , Yang Wensheng , Xie Renguo
Published: August 2022

An orange-yellow phosphor Sb3+: (CH3NH3)4InCl6·Cl was preparedviaa mechanical ball-milling method. Sb3+-doped (CH3NH3)4InCl6·Cl was able to emit orange light (∼607 nm) under UV light excitation, and the PLQY is as high as 67.72%.
Machine learning ensures rapid and precise selection of gold sea-urchin-like nanoparticles for desired light-to-plasmon resonance
Authors: Pan Fei , Wu Chia-Chen , Chen Yu-Lin , Kung Po-Yen , Su Yen-Hsun
Published: August 2022

Machine learning ensures rapid and precise selection of gold sea-urchin-like nanoparticles for anticipated light-to-plasmon resonance.
Catalyst-free highly regioselective hydrated ring-opening and formylation of quinazolinones
Authors: Yu Xianglin , Tang Zhiliang , He Kun , Li Weina , Lin Jun , Jin Yi
Published: August 2022

A catalyst-free method for the highly regioselective hydrated ring-opening and formylation of quinazolinones was developed.
Synthesis of 1,3,5-trisubstituted pyrazolesvia1,3-dipolar cycloaddition of nitrile imines with ninhydrin-derived Morita–Baylis–Hillman carbonates
Authors: Wang Kai-Kai , Li Yan-Li , Jing Jun , Chen Rongxiang , Zhao Na-Na , Li Zhi-Hui , Wang Ming-Yue , Ji Shuo-Ke
Published: August 2022

An effective method for 1,3,5-trisubstituted pyrazolesvia1,3-dipolar cycloaddition reaction from ninhydrin-derived Morita–Baylis–Hillman carbonates and nitrilimines has been developed.
pH-controlled regioselective nucleophilic ring-opening of epoxide: an improved process for the preparation of (R)-(−)- or (S)-(+)-3-hydroxytetrahydrofuran
Authors: Chakraborty Ankita , Shiva Krishna Avula , Sheelu Gurrala , Ghosh Subhash , Kumaraguru Thenkrishnan
Published: August 2022

An environmentally benign, cost-effective and scalable process for the preparation of both the enantiomers of 3-hydroxytetrahydrofuran has been developed.
Synthesis of polyimides containing Tröger's base and triphenylmethane moieties with a tunable fractional free volume for CO2 separation
Authors: Xu Xiaochen , Dong Jie , Li Xiuting , Zhao Xin , Zhang Qinghua
Published: August 2022

CO2 separation from natural gas (CO2/CH4) or flue gas (CO2/N2) has a great significance for the sustainable development of the environment and society as well as industrial production.
A lead-free halide hybrid perovskite (TMHD)BiCl5 for ultraviolet photodetection
Authors: Weng Wen , Chen Qin , Fan Yipeng , Li Zhou , Huang Haizhou , Wu Hongchun , Ji Chengmin , Lin Wenxiong
Published: August 2022

Lead halide hybrid perovskites with a wide bandgap (e.g., CH3NH3PbCl3) have gained tremendous attention in the field of ultraviolet (UV) photodetection due to their brilliant optoelectronic activity.
Selenium substituted axitinib reduces axitinib side effects and maintains its anti-renal tumor activity
Authors: Fu Ying , Saxu Rengui , Ahmad Ridwan Kadir , Zhao Cai , Kong Xiangshun , Rong Yao , Zheng Weida , Yu Peng , Teng Yuou
Published: August 2022

Se-axitinib is a selenium substitution of sulfur in axitinib, which reduced the side effect of VEGFR inhibitors and maintained the potent anticancer activity of the original drug.
Barium molybdate white emitting phosphor synthesized at room temperature by co-precipitation
Authors: Yi Soung-Soo , Jung Jae-Yong
Published: August 2022

Crystalline BaMoO4:Dy3+ and BaMoO4:Sm3+ phosphors were synthesized by co-precipitation at room temperature.
Spectroscopic application of few-femtosecond deep-ultraviolet laser pulses from resonant dispersive wave emission in a hollow capillary fibre
Authors: Kotsina Nikoleta , Brahms Christian , Jackson Sebastian L. , Travers John C. , Townsend Dave
Published: August 2022

We exploit the phenomenon of resonant dispersive wave emission in gas-filled hollow capillary fibres to realize time-resolved photoelectron imaging measurements with an extremely short temporal resolution.
Controlled, one-pot synthesis of recyclable poly(1,3-diene)-polyester block copolymers, catalyzed by yttrium β-diketiminate complexes
Authors: Kosloski-Oh Sophia C. , Manjarrez Yvonne , Boghossian Taleen J. , Fieser Megan E.
Published: August 2022

Ligand features that promote one-pot block copolymerization of 1,3-dienes and cyclic esters were realized with yttrium β-diketiminate complexes. Depolymerization and repolymerization of the polyester block introduced a plausible recycling strategy.
A solid–solution-based Li–Mg alloy for highly stable lithium metal anodes
Authors: Guo Baochun , Guo Peiyan , Zhao Guohao , Liu Shuai , Shi Jing , Huang Minghua , Shi Zhicheng , Wang Huanlei , Yan Zhenhua
Published: August 2022

A facile method is reported to stabilize Li-metal anodes via constructing a solid–solution-based Li–Mg alloy.
A supramolecular aluminium-based molecular catalyst for water oxidation into H2O2in saline water
Authors: Mathew Siby , Sebastian Abin , Kuttassery Fazalurahman , Yamauchi Yoshio , Isobe Toshiaki , Hatanaka Tsubasa , Funahashi Yasuhiro , Tachibana Hiroshi , Inoue Haruo
Published: August 2022

Capping TMβCD over AlTPyP has an excellent protective effect on seawater oxidation catalyzed by the supramolecular system AlTPyP@TMβCD against attack by Cl−.
Correction: New insights into the environmental performance of perovskite-on-silicon tandem solar cells – a life cycle assessment of industrially manufactured modules
Authors: Roffeis Martin , Kirner Simon , Goldschmidt Jan Christoph , Stannowski Bernd , Perez Laura Miranda , Case Christopher , Finkbeiner Matthias
Published: August 2022

Correction for ‘New insights into the environmental performance of perovskite-on-silicon tandem solar cells – a life cycle assessment of industrially manufactured modules’ by Martin Roffeis et al., Sustainable Energy Fuels, 2022, 6, 2924–2940, https://doi.org/10.1039/D2SE00096B.
One-pot two-step synthesis of micro- and mesoporous organic fibrils for efficient pseudocapacitors
Authors: Yang Minwoo , Song Woon Ju
Published: August 2022

A porous polyimide with a hexaazatriphenylene triimide group is synthesized from two pre-assembled monomers. Its micro- and mesoporous architecture enables fast ion diffusion for an efficient energy storage material with a high charge capacity.
Insights into dual-functional modification for water stability enhancement of mesoporous zirconium metal–organic frameworks
Authors: Liu Jian , Anderson Ryther , Schmalbach Kevin M. , Sheridan Thomas R. , Wang Zhao , Schweitzer Neil M. , Stein Andreas , Mara Nathan A. , Gomez-Gualdron Diego , Hupp Joseph T.
Published: August 2022

This study revealed dual functions of the installed Facac ligands: enhancement of framework mechanical stability due to electrostatic interactions; and weaker capillary forces evaluated from free energies of dehydration during water evacuation.
Multiple ordered porous honeycombed g-C3N4 with carbon ring in-plane splicing for outstanding photocatalytic H2 production
Authors: Wu Xiaobo , Fan Huiqing , Wang Weijia , Lei Lin , Chang Xinye , Ma Longtao
Published: August 2022

The multiple ordered porous honeycomb structure of g-C3N4 with carbon ring in-plane splicing (Cr–PHCN) has been successfully fabricated with simultaneous morphology regulation and electronic structure modulation.
Boosting the oxygen reduction reaction behaviour of atomic Fe–N4active sites in porous honeycomb-like carbonviaP heteroatom doping
Authors: Li Jin , Fan Kaicai , Jiang Hongliang , Lu Fenghong , Cui Lixiu , Li Bin , Zhang Qi , Fan Gao-Chao , Zong Lingbo , Wang Lei
Published: August 2022

Fe single atoms immobilised on N- and P-codoped porous honeycomb-like carbon (Fe–N4/NP-PHC) with abundant accessible active sites produce impressive electrocatalytic performance towards oxygen reduction reaction.
A flexible and highly ion conductive polyzwitterionic eutectogel for quasi-solid state zinc ion batteries with efficient suppression of dendrite growth
Authors: Wu Yihan , Deng Yongqi , Zhang Kefu , Wang Yu , Wang Lele , Yan Lifeng
Published: August 2022

A novel polyzwitterionic eutectogel made with a DES (ChCl–EG–urea), zwitterionic sulfobetaine, and Zn(ClO4)2with high ion conductivity has been used as an electrolyte for quasi-solid state zinc ion batteries with efficient suppression of dendrite growth.
MgO-template synthesis of hollow N/O dual-doped carbon boxes as extremely stable anodes for potassium-ion batteries
Authors: Li Jianding , Zheng Yun , Chen Wei , Zhu Wenshuai , Zhu Yongyang , Zhao Huajun , Bao Xiaozhi , He Liqing , Zhang Linfeng
Published: August 2022

H-NOCBs exhibit superior cycling stability with the retained capacities of 178.8 mA h g−1 (500 mA g−1) and 123.3 mA h g−1 (1000 mA g−1) after 2500 and 10 000 cycles, respectively, demonstrating extremely stable performance for potassium ion storage.
A synergistic architecture design for functionally boosting the hydroxyl adsorption and charge transfer for the oxygen evolution reaction
Authors: Chen Jiani , Zhu Shiliang , Ge Lei , She Sixuan , Liu Dongliang , Sha Yuchen , Zhou Wei , Shao Zongping
Published: August 2022

A material with a karren-structure and hybrid phase is preparedviaa molten-salt treatment. This novel architecture regulates the morphology and electronic properties, synergistically expediting the sluggish OER kinetics.
A sensitive electrochemical platform integrated with a 3D graphene aerogel for point-of-care testing for tumor markers
Authors: Hu Tao , Wu Zihao , Sang Wen , Ding Bo , Chen Ke , Li Xiao , Shen Yang , Ni Zhonghua
Published: August 2022

A detection platform based on electrochemical biosensor with high sensitivity and a low detection limit for tumor markers was developed, which used the graphene aerogel with high specific surface area and biocompatibility as the electrode material.
Additive transport in DNA molecular circuits
Authors: Sebechlebská Táňa , Kolivoška Viliam , Šebera Jakub , Fukal Jiří , Řeha David , Buděšínský Miloš , Rosenberg Ivan , Bednárová Lucie , Gasior Jindřich , Mészáros Gábor , Hromadová Magdaléna , Sychrovský Vladimír
Published: August 2022

Self-assembly of two complementary single-stranded DNA chains via hybridization increases (approximately doubles) the single molecule DNA conductance leading to additive transport in double-stranded DNA molecular circuits.
A sandwich-structured intelligent anti-icing/de-icing film with ice-oriented power self-regulating performance
Authors: Liu Xiaolin , Zhu Yantong , Wang Zelinlan , Ma Zheng , Zhao Zehui , Zhang Deyuan , Chen Huawei
Published: August 2022

A smart electrothermal anti-icing/de-icing film based on the PTC effect can self-regulate heating power according to ice distribution.
Reliable high work-function molybdenum dioxide synthesis via template-effect-utilizing atomic layer deposition for next-generation electrode applications
Authors: Kim Ye Won , Lee Ae Jin , Han Dong Hee , Lee Dae Cheol , Hwang Ji Hyeon , Kim Youngjin , Moon Songyi , Youn Taewon , Lee Minyung , Jeon Woojin
Published: August 2022

An atomic layer deposition (ALD) method for coating metastable MoO2 thin films onto substrates was investigated. It is the first reported growth of metastable phased thin films based on chemical reaction-mediated thin film deposition processes, such as chemical vapor deposition or ALD.
Doping-induced decomposition of organic semiconductors: a caveat to the use of Lewis acid p-dopants
Authors: Rotas Georgios , Antoniou Giannis , Papagiorgis Paris , Basu Aniruddha , Panidi Julianna , Ufimkin Petr , Tsetseris Leonidas , Itskos Grigorios , Heeney Martin , Vougioukalakis Georgios C. , Anthopoulos Thomas D. , Keivanidis Panagiotis E.
Published: August 2022

Tuning the electronic properties of organic semiconductors with Lewis acid reagents may go with chemical modifications of the semiconductor structure.
Analysis of electromagnetic scattering from typical targets for orbital‐angular‐momentum waves: Theoretical model
Authors: Zhang Xiaoxiao , Su Xiang , Wu Zhensen , Ma LiWen , Li Xuping , Bai Jing
Published: August 2022

The target scattering characteristics in microwave band are necessary to be researched for Orbital‐Angular‐Momentum (OAM) wave‐based radar applications. A theoretical description of electromagnetic (EM) scattering from a typical target by OAM waves is proposed in this paper. First, OAM waves are decomposed into plane waves in the spectral domain with different elevation and azimuth angles. Then, the scattering form of each decomposed plane wave is determined through coordinate system transformation and physical optics approximation. Formulas and numerical results are presented for OAM‐based radar scattering cross section of a perfect electric conductor and dielectric plate and a cylinder. Unlike the conventional results of EM plane wave scattering, the scattering properties of OAM waves from plate and cylinder are analysed with particular emphasis on OAM mode influence. The results provide insights into OAM wave‐matter interactions and may find important applications in wave propagation and OAM wave‐based radar detection and imaging.
Incremental learning using feature labels for synthetic aperture radar automatic target recognition
Authors: Hu Chao , Hao Ming , Wang Wenying , Yang Yong , Wu Daoqing
Published: August 2022

Although deep neural network technology brings high recognition accuracy to the field of synthetic aperture radar image‐based automatic target recognition, it also produces the catastrophic forgetting problem. Here, a new incremental learning method that can extract more information about old data is proposed. Based on the rehearsal method, the authors’ method adds extra linear layers after the feature extractor of the network before training on new incremental data and uses the network to generate distilled labels for incremental training. Through experiments on the moving and stationary target acquisition and recognition data set, we conclude that, when the old model has good performance, our method has better performance than other typical incremental learning methods on small data sets.
Angular distribution of particles sputtered from the vanadium target by 5 keV Kr ions: simulation study
Authors: Bria Kaoutar , Ait El Fqih Mohammed , Afkir Ahmad , Jadoual Lamia , Kaddouri Abdelilah
Published: August 2022

The sputtering of vanadium particles at normal incidence was simulated. The SRIM-code combined to a new ANGULAIR and SDTrimSP simulation was employed to obtain the sputtering yields and the angular distribution of the atoms. The simulation was made for a large number of incident Kr+ ions with 5 keV energy, letting the computer count the number of emitted particles in the solid angle. The angular distribution of differential sputtering yields of vanadium shows an over-cosine tendency.
Expérience à choix retardé de wheeler et complémentarité onde-particule
Authors: Durt Thomas
Published: August 2022

L’expérience à choix différé de Wheeler (1978) permet de repositionner le débat Bohr-Einstein de 1927 sur la complémentarité onde-particule. Lors d’une telle expérience, on choisit de fermer ou non un interféromètre à sa sortie, alors que l’objet quantique est déjà en cours de route. Le mode fermé induit un comportement de type onde; le mode ouvert un comportement de type particule. Cette expérience à choix retardé a été réalisée pour la première fois en 2006 avec des photons uniques.
Perception lidar 3D pour l’aide à la conduite autonome
Authors: Riviere Nicolas , Dupouy Paul-Édouard
Published: August 2022

Le LiDAR 3D est une technique d’imagerie active qui délivre une information tridimensionnelle des objets en haute résolution. Elle bénéficie de nombreux avantages comme la faible sensibilité à l’éclairement naturel ou à l’environnement opérationnel pour des applications de navigation autonome ou de cartographie précise.