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Formation of dislocations via misfit strain across interfaces in epitaxial BaTiO3 and SrIrO3 heterostructures.

J Phys Condens Matter 2021 May 4. Epub 2021 May 4.

Department of Physics and Astronomy, Louisiana State University, 202 Nicholson Hall, Tower Drive, Baton Rouge, LA 70803-4001, USA, Baton Rouge, Louisiana, 70803-2804, UNITED STATES.

Dislocations often occur in thin films with large misfit strain as a result of strain energy accumulation and can drastically change the film properties. Here the structure and dislocations in oxide heterostructures with large misfit strain are investigated on atomic scale. When grown on SrTiO3 (001), the dislocations in both the monolithic BaTiO3 thin film and its superlattices with SrIrO3 appear above a critical thickness around 6 nm. Read More

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Structural, Electrical and Optical Properties of Bilayer SiX (X= N, P, As and Sb).

J Phys Condens Matter 2021 May 4. Epub 2021 May 4.

Hamedan University of Technology, Hamedan, mardom street, Hamedan, 00000, Iran (the Islamic Republic of).

In this work, the structural, electrical, and optical properties of bilayer SiX (X= N, P, As, and Sb) are studied using density functional theory (DFT). Five different stacking orders are considered for every compound and their structural properties are presented. The band structure of these materials demonstrates that they are indirect semiconductors. Read More

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Adlayer influence on Dirac-type surface state at W(110).

J Phys Condens Matter 2021 May 4. Epub 2021 May 4.

Physikalisches Institut, Westfälische Wilhelms-Universität Münster, Wilhelm-Klemm-Straße 10, Münster, Nordrhein-Westfalen, 48149, GERMANY.

In a combined experimental and theoretical study, we investigated how Fe and Co adlayers on W(110) affect the Dirac-type surface state (DSS). Angle-resolved photoelectron spectroscopy data show an increase in binding energy of 75meV and 107meV for Fe and Co, respectively. In order to identify the origin of the energy shift we performed first-principles calculations of the surface electronic structure. Read More

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Polymer-coated microparticle scaffolds engineered for potential use in musculoskeletal tissue regeneration.

Biomed Mater 2021 May 4. Epub 2021 May 4.

Department of Oral and Craniofacial Sciences, University of Missouri Kansas City School of Dentistry, 650 E 25th St, Kansas City, Missouri, 64108-2716, UNITED STATES.

Biomaterials constructed exclusively of sintered microspheres have great potential in tissue engineering scaffold applications, offering the ability to create shape-specific scaffolds with precise controlled release yet to be matched by traditional additive manufacturing methods. The problem is that these microsphere-based scaffolds are limited in their stiffness for applications such as bone regeneration. Our vision to solve this problem was borne from a hierarchical structure perspective, focusing on the individual unit of the structure: the microsphere itself. Read More

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Tetrazoles as PPARγ ligands: A structural and computational investigation.

J Mol Graph Model 2021 Apr 26;106:107932. Epub 2021 Apr 26.

Grupo de Biotecnologia Molecular, Instituto de Física de São Carlos, Universidade de São Paulo, São Carlos, SP, 13566-590, Brazil. Electronic address:

Diabetes is an important chronic disease affecting about 10% of the adult population in the US and over 420 million people worldwide, resulting in 1.6 million deaths every year, according to the World Health Organization. The most common type of the disease, type 2 diabetes, can be pharmacologically managed using oral hypoglycemic agents or thiazolidinediones (TZDs), such as pioglitazone, which act by activating the Peroxisome Proliferated-Activated Receptor γ. Read More

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Inhomogeneity of stiffness and density of the extracellular matrix within the leukoplakia of human oral mucosa as potential physicochemical factors leading to carcinogenesis.

Transl Oncol 2021 May 1;14(7):101105. Epub 2021 May 1.

Institute of Nuclear Physics Polish Academy of Sciences, PL-31342 Krakow, Poland; Department of Microbiology and Immunology, Institute of Medical Science, Collegium Medicum, Jan Kochanowski University in Kielce, PL-25317 Kielce, Poland. Electronic address:

Oral leukoplakia is a clinical term relating to various morphological lesions, including squamous cell hyperplasia, dysplasia and carcinoma. Leukoplakia morphologically manifested as hyperplasia with epithelial dysplasia is clinically treated as precancerous condition. Nevertheless, there is a lack of good markers indicating the transformation of premalignancies towards cancer. Read More

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An interpretable machine learning method for supporting ecosystem management: Application to species distribution models of freshwater macroinvertebrates.

J Environ Manage 2021 May 1;291:112719. Epub 2021 May 1.

Department of Biology, Kyung Hee University, Seoul, 02447, Republic of Korea.

Species distribution models (SDMs), in which species occurrences are related to a suite of environmental variables, have been used as a decision-making tool in ecosystem management. Complex machine learning (ML) algorithms that lack interpretability may hinder the use of SDMs for ecological explanations, possibly limiting the role of SDMs as a decision-support tool. To meet the growing demand of explainable MLs, several interpretable ML methods have recently been proposed. Read More

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An oncolytic vaccinia virus armed with anti-human-PD-1 antibody and anti-human-4-1BB antibody double genes for cancer-targeted therapy.

Biochem Biophys Res Commun 2021 May 1;559:176-182. Epub 2021 May 1.

School of Life Sciences, Shanghai University, Shanghai, China; GeneSail Biotech (Shanghai) Co., Ltd., Shanghai, China. Electronic address:

Oncolytic virus can selectively recognize cancer cells, target tumors, and stimulate an oncolytic and immune response. Recombinant armed oncolytic vaccinia virus has emerged as an attractive tool in oncolytic virotherapy because it has tumor-specific cytotoxicity and serves as a vector to express immune genes. A novel thymidine kinase (TK) gene-deleted oncolytic vaccinia virus (named ΔTK-Armed-VACV) armed with anti-human-programed cell death-1 protein (PD-1) antibody and anti-human-tumor necrosis factor receptor superfamily, member 9 (4-1BB) antibody genes was constructed based on Western Reserve in our previous study. Read More

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Design, synthesis and biological evaluation of novel benzofuran derivatives as potent LSD1 inhibitors.

Eur J Med Chem 2021 Apr 24;220:113501. Epub 2021 Apr 24.

Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang, 110016, Liaoning, China.

Lysine-specific demethylase 1 (LSD1) is a FAD-dependent enzyme, which has been proposed as a promising target for therapeutic cancer. Herein, a series of benzofuran derivatives were designed, synthesized and biochemical evaluated as novel LSD1 inhibitors based on scaffold hopping and conformational restriction strategy. Most of the compounds potently suppressed the enzymatic activities of LSD1 and potently inhibited tumor cells proliferation. Read More

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Binding mechanism and functional evaluation of quercetin 3-rhamnoside on lipase.

Food Chem 2021 Apr 28;359:129960. Epub 2021 Apr 28.

College of Chemical Engineering, Sichuan University, Chengdu 610010, China.

The interaction between lipase and quercetin 3-rhamnoside was studied by fluorescence spectroscopy, enzyme kinetics, and molecular dynamics simulation. The results showed that quercetin 3-rhamnoside had a strong quenching effect on the intrinsic fluorescence of lipase. The binding constant decreased with increasing temperature, and the number of binding sites approached 1. Read More

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Facile synthesis of the crescent-like SnS nanocrystals capped by polyvinyl pyrrolidone and its performance of adsorbing dyes.

J Colloid Interface Sci 2021 Apr 21;599:291-299. Epub 2021 Apr 21.

Laboratory of Polymer Materials and Engineering, NingboTech University, No.1 Qianhu South Road, Ningbo 315100, China. Electronic address:

With using Sn as tin source, l-cysteine as sulphur source and polyvinyl pyrrolidone (PVP, M = 1300000) as surfactant, a novel three-dimensional and crescent-like SnS nanocrystal (NCs) was successfully synthesized in a one-pot hydrothermal method. The as-prepared SnS NCs displayed uniform crescent-like morphological structure, and demonstrated excellent efficiency for the adsorption of cationic dyes such as rhodamine B (RhB) and methylene blue (MB). Kinetic analysis indicated that the adsorption process followed the pseudo second-order model, and the maximum capacity of the SnS NCs to adsorb MB was determined by Langmuir equation to be 252 mg⋅g at 298 K. Read More

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Electrospun cobalt Prussian blue analogue-derived nanofibers for oxygen reduction reaction and lithium-ion batteries.

J Colloid Interface Sci 2021 Apr 21;599:280-290. Epub 2021 Apr 21.

School of Applied Physics and Materials, Wuyi University, Jiangmen, China; Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials (Ministry of Education), School of Materials Science and Engineering, Shandong University, Jinan, China. Electronic address:

Electrospinning is an effective technique to fabricate one-dimensional materials. In this study, cobalt-embedded carbon nanofibers (Co@CNFs) are obtained via carbonization of electrospun cobalt Prussian blue analogue (Co-Co PBA) under nitrogen atmosphere. The Co@CNFs have metallic cobalt surrounded by graphitic carbon shells and possess high specific surface area, rich porosity, high graphitic degree, and rational nitrogen doping. Read More

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Homogeneous triple-phase interfaces enabling one-pot route to metal compound/carbon composites.

J Colloid Interface Sci 2021 Apr 16;599:271-279. Epub 2021 Apr 16.

Key Laboratory for Biobased Materials and Energy of Ministry of Education, Guangdong Provincial Engineering Technology Research Center for Optical Agriculture, College of Materials and Energy, South China Agricultural University, Guangzhou, China; Guangdong Laboratory of Lingnan Modern Agriculture, Guangzhou, China. Electronic address:

Metal compounds (e.g., metal phosphides/sulfides/selenides) coupled with carbon materials have recently drawn great attraction for boosting the electrochemical performances because of their appealing synergistic effect and valuable structural stability. Read More

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Synthesis and microwave absorption properties of coralloid core-shell structure NiS/NiS@PPy@MoS nanowires.

J Colloid Interface Sci 2021 Apr 24;599:262-270. Epub 2021 Apr 24.

School of Civil Engineering, Qingdao University of Technology, Qingdao 266033, People's Republic of China.

Herein, coralloid core-shell structure NiS/NiS@PPy@MoS nanowires were elaborately designed and successfully synthesized through a three-step route to obtain exceptional microwave absorption (MA) properties. Ni nanowires were first fabricated, and then used as the substrate to be coated with a layer of PPy. Ni chalcogenides were obtained by using Ni nanowire as sacrificial templates while growing MoS nanorods by hydrothermal method. Read More

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Oxygen vacancy engineering of BiOBr/HNbO Z-scheme hybrid photocatalyst for boosting photocatalytic conversion of CO.

J Colloid Interface Sci 2021 Apr 17;599:245-254. Epub 2021 Apr 17.

School of Chemistry and Chemical Engineering, Jiangsu University, Zhenjiang 212013, China.

Photo-chemical conversion of CO into solar fuels by photocatalysts is a promising and sustainable strategy in response to the ever-increasing environmental problems and imminent energy crisis. However, it is unavoidably impeded by the insufficient active site, undesirable inert charge transfer and fast recombination of photogenerated charge carriers on semiconductor photocatalysts. In this work, all these challenges are overcome by construction of a novel defect-engineered Z-scheme hybrid photocatalyst, which is comprised of three-dimensional (3D) BiOBr nanoflowers assembled by nanosheets with abundant oxygen vacancies (BiOBr-V) and two-dimensional (2D) HNbO nanosheets (HNbO NS). Read More

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Strucutural brain imaging at the onset of schizophrenia:What have we learned and what have we missed.

Psychiatry Res 2021 Apr 24;301:113962. Epub 2021 Apr 24.

Department of Mental Health, Spedali Civili Hospital, Brescia, Italy; Department of Clinical and Experimentale Sciences, University of Brescia, Italy. Electronic address:

Over the past 50 years, the application of structural neuroimaging techniques to schizophrenia research has added relevant information about the pathophysiology of the disorder. Several lines of investigation gave strong evidence that schizophrenia is associated with multiple subtle brain abnormalities that involve both cerebral grey and white matter volumes and structure. The time of onset and longitudinal course of brain morphological abnormalities support the notion that brain pathology of schizophrenia has a neurodevelopmental component and a progressive course, although several confounders of brain changes should be carefully taken into account. Read More

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Structure and function of SARS-CoV-2 polymerase.

Hauke S Hillen

Curr Opin Virol 2021 Apr 6;48:82-90. Epub 2021 Apr 6.

Department of Cellular Biochemistry, University Medical Center Göttingen, Humboldtallee 23, D-37073 Göttingen, Germany; Research Group Structure and Function of Molecular Machines, Max Planck Institute for Biophysical Chemistry, Am Fassberg 11, D-37077 Göttingen, Germany; Cluster of Excellence "Multiscale Bioimaging: from Molecular Machines to Networks of Excitable Cells" (MBExC), University of Göttingen, D-37075 Göttingen, Germany. Electronic address:

Coronaviruses use an RNA-dependent RNA polymerase (RdRp) to replicate and express their genome. The RdRp associates with additional non-structural proteins (nsps) to form a replication-transcription complex (RTC) that carries out RNA synthesis, capping and proofreading. However, the structure of the RdRp long remained elusive, thus limiting our understanding of coronavirus genome expression and replication. Read More

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Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma.

Eur J Med Chem 2021 Apr 20;221:113481. Epub 2021 Apr 20.

Department of Cancer Biology, Dana-Farber Cancer Institute, Harvard Medical School, Boston, MA, 02115, USA; Department of Biological Chemistry and Molecular Pharmacology, Harvard Medical School, Boston, MA, 02115, USA. Electronic address:

Development of inhibitors targeting CDK12/13 is of increasing interest as a potential therapy for cancers as these compounds inhibit transcription of DNA damage response (DDR) genes. We previously described THZ531, a covalent inhibitor with selectivity for CDK12/13. In order to elucidate structure-activity relationship (SAR), we have undertaken a medicinal chemistry campaign and established a focused library of THZ531 analogs. Read More

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Trabecular bone properties in the ilium of the Middle Paleolithic/Middle Stone Age Border Cave 3 Homo sapiens infant and the onset of independent gait.

J Hum Evol 2021 Apr 30;155:102984. Epub 2021 Apr 30.

Evolutionary Studies Institute, School of Geosciences, University of the Witwatersrand, Johannesburg, Gauteng, South Africa; Department of Integrative Anatomical Sciences, Keck School of Medicine, University of Southern California, Los Angeles, CA, USA.

The Border Cave 3 (BC3) infant skeleton has been understudied, despite its importance as an example of a well-preserved and fairly complete immature skeleton of early Homo sapiens which potentially provides a rare window into various aspects of ontogenetic development, including locomotor activity (e.g., timing of gait events). Read More

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Synthesis of 16β-derivatives of 3-(2-bromoethyl)-estra-1,3,5(10)-trien-17β-ol as inhibitors of 17β-HSD1 and/or steroid sulfatase for the treatment of estrogen-dependent diseases.

Steroids 2021 May 1:108856. Epub 2021 May 1.

Laboratory of Medicinal Chemistry, Endocrinology and Nephrology Unit, CHU de Québec - Research Center (CHUL, T4), Québec, QC, G1V4G2, Canada; Department of Molecular Medicine, Faculty of Medicine, Université Laval, Québec, QC, G1V0A6, Canada. Electronic address:

17β-Hydroxysteroid dehydrogenase type 1 (17β-HSD1) and steroid sulfatase (STS) are involved in the synthesis of the most potent estrogen in the human body, estradiol (E2). These enzymes are known to play a pivotal role in the progression of estrogen-dependent diseases, such as breast cancer and endometriosis. Therefore, the inhibition of 17β-HSD1 and/or STS represents a promising avenue to modulate the growth of estrogen-dependent tumors or lesions. Read More

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CD8 T cells specific for an immunodominant SARS-CoV-2 nucleocapsid epitope cross-react with selective seasonal coronaviruses.

Immunity 2021 Apr 13. Epub 2021 Apr 13.

Department of Biochemistry and Molecular Biology, Monash University, Clayton, VIC 3800, Australia; Department of Biochemistry and Genetics, La Trobe Institute for Molecular Science, La Trobe University, Melbourne, VIC 3086, Australia. Electronic address:

Efforts are being made worldwide to understand the immune response to severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the virus responsible for the coronavirus disease 2019 (COVID-19) pandemic, including the impact of T cell immunity and cross-recognition with seasonal coronaviruses. Screening of SARS-CoV-2 peptide pools revealed that the nucleocapsid (N) protein induced an immunodominant response in HLA-B7 COVID-19-recovered individuals that was also detectable in unexposed donors. A single N-encoded epitope that was highly conserved across circulating coronaviruses drove this immunodominant response. Read More

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Structural determinants of multimerization and dissociation in 2-Cys peroxiredoxin chaperone function.

Structure 2021 Apr 28. Epub 2021 Apr 28.

Department of Chemistry and Molecular Biology, University of Gothenburg, 405 30 Göteborg, Sweden; Department of Biology and Biological Engineering, Chalmers University of Technology, 405 30 Göteborg, Sweden. Electronic address:

Peroxiredoxins (PRDXs) are abundant peroxidases present in all kingdoms of life. Recently, they have been shown to also carry out additional roles as molecular chaperones. To address this emerging supplementary function, this review focuses on structural studies of 2-Cys PRDX systems exhibiting chaperone activity. Read More

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On-cell nuclear magnetic resonance spectroscopy to probe cell surface interactions.

Biochem Cell Biol 2021 May 4. Epub 2021 May 4.

Dalhousie University, 3688, Department of Biochemistry & Molecular Biology, Halifax, Canada;

Nuclear magnetic resonance (NMR) spectroscopy allows determination of atomic-level information about intermolecular interactions, molecular structure, and molecular dynamics in the cellular environment. This may be broadly divided into studies focused on obtaining detailed molecular information in the intracellular context ("in-cell") or those focused on characterizing molecules or events at the cell surface ("on-cell"). In this review, we outline some key NMR techniques applied for on-cell NMR studies through both solution-state and solid-state NMR and survey studies that have used these techniques to uncover key information. Read More

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Termination and repetition: The dissolution of the frame.

Lucy Lafarge

Int J Psychoanal 2019 Dec 23;100(6):1270-1285. Epub 2019 Dec 23.

Clinical Professor of Psychiatry, Weill Cornell Medical School.

Beginning with Freud, analysts have observed that the pull to repeat is particularly strong as analysis approaches termination and that transferences that have come to light earlier in the analysis are revived and reworked at this time. It is also well known that primitive transferences, may make an appearance at the termination phase for what has been believed to be the first time. Drawing upon the work of Bleger, the author explores these primitve transferences and their relation to repetition. Read More

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December 2019

Passion and melancholia, red and black: The vicissitudes of the sexual in an analytic process.

Int J Psychoanal 2019 Dec;100(6):1237-1247

President, British Psychoanalytical Society.

The sudden emergence of a foreign language in the course of an analysis is understood as a crossroad between the past and the present: The author links this emergence to Freud's search for the meaning of the uncanny in different languages. She suggests that the uncanny is that which provokes curiosity and is at the same time rejected, as it refers to incestuous desires that are frightening, forbidden, and disgusting. The following question is raised: Is incest at the core of the riddle of anxiety? The author traces the multiocular structure leading to an understanding of what has taken place and the vicissitudes of the sexual and the melancholic in an analysis. Read More

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December 2019

Encountering and speaking to the unconscious.

Jonathan Lear

Int J Psychoanal 2019 Dec;100(6):1102-1116

Committee on Social Thought, Department of Philosophy, University of Chicago; Chicago Institute for Psychoanalysis, Western New England Institute for Psychoanalysis.

This paper tries to answer the question: what is it about the fundamental rule of psychoanalysis that makes it fundamental? The paper argues that the fundamental rule is fundamental to psychoanalysis because it is fundamental to human being that we are animals who think and speak and understand ourselves in logos - that is, in a special form of responsibility-bearing language. We learn how we bear these responsibilities by learning how to take a Sabbath-like rest from them. The fundamental rule is fundamental because in its very structure it probes deeply into and thus reveals and thus gives practical access to the beings we are. Read More

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December 2019

The Sexual and psychical reality.

Int J Psychoanal 2019 Dec;100(6):1248-1255

Université de Montréal, Montréal, Canada; Canadian Psychoanalytic Society and Institute, Montréal, Canada.

Not everything is sexual in the psychoanalytic conception of the human condition, but the Sexual is at the core of the central conceptual cluster of psychoanalysis, along with translation/repression, resistance, transference and the time structure (). For all its importance, the Sexual should not be used by psychoanalysts as their single interpretive key. Laplanche's Generalized Seduction Theory, with the translational model of the mind at its core, rather suggests that the Sexual, with its enigmatic presentation to the infant's psyche, is the "Question" to which psychopathology is the non-evolutive, arrested and problematic set of "Answers. Read More

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December 2019

Matrix isolation-vibrational circular dichroism spectroscopic study of conformations and non-covalent interactions of tetrahydro-2-furoic acid.

Chemphyschem 2021 May 4. Epub 2021 May 4.

University of Alberta, Chemistry, CANADA.

The conformational landscape and aggregation behaviour of tetrahydro-2-furoic acid (THFA) were investigated by using matrix isolation-vibrational circular dichroism (MI-VCD). The well-resolved experimental MI-IR and MI-VCD features in an argon matrix at 10 K allow one to identify two dominant monomeric conformations as trans -THFA where the hydroxyl and carbonyl groups of COOH are at opposite sides, as well as one cis -conformer. At 24 K and 30 K deposition temperatures, the experimental IR and VCD spectral features reveal further growth of the binary THFA aggregates. Read More

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A Highly Strained All-Phenylene Siamese-Twin Bismacrocycle.

Pingwu Du

Angew Chem Int Ed Engl 2021 May 4. Epub 2021 May 4.

University of Science and Technology of China (USTC), Chemistry and Materials Science & Engineering, No.96, Jinzhai Road, 230026, Hefei, CHINA.

Herein, we report the precise synthesis of a 3D highly strained all-phenylene bismacrocycle, termed Siamese-twin (1,4)[10]cycloparaphenylenophane (SCPP[10]). This structure consists of a twist benzene ring which is bridged twice by phenylene units anchored in two para-positions. The Siamese-twin structure of SCPP[10] was confirmed in real space at the atomic scale by scanning tunneling microscopy. Read More

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Single-Molecule FRET of Membrane Transport Proteins.

Chembiochem 2021 May 4. Epub 2021 May 4.

Weizmann Institute of Science, Structural Biology, GERMANY.

Uncovering the structure and function of biomolecules is a fundamental goal in structural biology. Membrane-embedded transport proteins are ubiquitous in all kingdoms of life. Despite structural flexibility, their mechanisms are typically studied by ensemble biochemical methods or by static high-resolution structures, which complicate a detailed understanding of their dynamics. Read More

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