Review
Plant Sciences
Daniel J. Cosgrove
Summary: This article discusses the evolution of primary cell wall structure and the mechanism of surface enlargement, highlighting the role of cellulose, xyloglucan, and pectins. By using molecular dynamics methods, a quantitative model is developed to understand the mechanical behavior of the cell wall, revealing the dominant role of cellulose-cellulose interactions in forming a strong yet extensible network.
Article
Materials Science, Paper & Wood
B. Duchemin
Summary: In his recent work, Henri Chanzy found that cellulose IVI could be generated in the native cell wall. However, it was difficult to distinguish cellulose IVI from imperfect forms of cellulose I in powder patterns. Through the study of flax fibers and fir wood, three characteristic reflections with different interplanar spacings were identified. A lineshape analysis provided insight into the longitudinal arrangement of cellulose in terms of domain sizes, microstrains, and paracrystallinity.
Article
Forestry
Jesper Bjorklund, Marina Fonti, Patrick Fonti, Jan Van den Bulcke, Georg von Arx
Summary: This study investigates the differences in well-replicated data obtained from parallel X-ray, BI, and dendroanatomical measurements of temperature-sensitive Pinus sylvestris trees from northern Finland. The results indicate that cell wall density and cell wall BI do not affect MXD and MXBI measurements. Even in years with reduced lignification, there is no significant deviation in dendroanatomical MXD measurements compared to MXD or MXBI counterparts. Furthermore, chronologies of cell wall density and cell wall BI show no significant climate signals when correlated with local climate.
Article
Materials Science, Paper & Wood
Tomoko Kuribayashi, Yu Ogawa, Isabelle Morfin, Yuji Matsumoto, Yoshiharu Nishiyama
Summary: Hydrothermal treatment is widely used in wood processing for various purposes. This study investigates the ultrastructure changes of wood cell walls before and after hydrothermal treatment at 200°C. The findings suggest that the hydrothermal treatment alters the nanoscale structure of wood cell walls, leading to the collapse of microfibrils.
Article
Chemistry, Physical
Pablo Pinacho, Swantje V. M. Caliebe, Maria Mar Quesada-Moreno, Sabrina Zinn, Melanie Schnell
Summary: This study reports the reinvestigation of the high-resolution rotational spectrum of estradiol. A large number of unassigned spectral lines were found in the spectrum, and the detection of certain patterns led to the identification of two new sets of experimental rotational constants. The study highlights the potential of high-resolution rotational spectroscopy in discerning structurally related molecules and determining their gas-phase structures without prior information.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Inorganic & Nuclear
Vishwesh Mishra, Nitish Kumar Sinha, Natesan Thirupathi
Summary: By reacting with Hg(OC(O)CF3)(2), separate reactions of cycloplatinated 2-tolyl- and 2-anisylguanidine complexes yielded a one-dimensional coordination polymer and a discrete tetrametallic complex with different structures and properties. The formation mechanisms and structural characteristics of these products were explained in detail, with important characterization information provided by multinuclear NMR spectroscopy and single-crystal X-ray diffraction studies.
INORGANIC CHEMISTRY
(2021)
Article
Materials Science, Multidisciplinary
Xieming Xu, Yiheng Wu, Yi Zhang, Xiaohui Li, Fang Wang, Xiaoming Jiang, Shaofan Wu, Shuaihua Wang
Summary: This study reports a 2D (C4H9NH3)(2)PbBr4 single crystal with outstanding sensitivity and stability towards X-ray radiation, providing an ultra-wide detectable X-ray range between 8.20 nGy(air) s(-1) (50 keV) and 15.24 mGy(air) s(-1) (9 MeV). The (C4H9NH3)(2)PbBr4 single crystal detector is used for high-performance X-ray imaging, delivering a good spatial resolution of 4.3 lp mm(-1) in a plane-scan imaging system.
ENERGY & ENVIRONMENTAL MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Ting-Ting Ying, Yun-Zhi Tang, Yu-Hui Tan, Yi-Ran Zhao, Jia-Ying Wang, Ming-Yang Wan, Fang Xin Wang, Xiao Wei Fan, Yu Kong Li
Summary: This study reports a single-component organic enantiomeric phase transition material that exhibits high-temperature reversible phase transitions and excellent dielectric switching properties. The two enantiomers display similar physical and chemical properties, including high structural phase transition temperatures, step-like dielectric anomalies, and flexible dielectric switching properties.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Materials Science, Paper & Wood
Anders Thygesen, Dinesh Fernando, Kenny Stahl, Geoffrey Daniel, Moses Mensah, Anne S. Meyer
Summary: Green seaweeds have the potential to be a climate-friendly renewable resource in the new bioeconomy, enabling green growth in coastal regions of developing countries. X-ray diffraction analysis showed that mainly cellulose I-alpha was present in green seaweeds, especially C. linum with a large crystallite diameter. This suggests that green seaweeds, particularly C. linum, have promise as a source for manufacturing novel cellulose-based materials.
Article
Chemistry, Multidisciplinary
Luka Skoric, Claire Donnelly, Aurelio Hierro-Rodriguez, Miguel A. Cascales Sandoval, Sandra Ruiz-Gomez, Michael Foerster, Miguel A. Nino, Rachid Belkhou, Claas Abert, Dieter Suess, Amalio Fernandez-Pacheco
Summary: This study proposes a three-dimensional magnetic interconnector that utilizes geometry-driven automotion of domain walls for magnetic information transfer between functional magnetic planes. Through experiments and simulations, it is found that large thickness gradients in the structure are the main mechanism for the automotion of domain walls. This work demonstrates a possible mechanism for efficient transfer of magnetic information in three dimensions.
Article
Biochemistry & Molecular Biology
Aparna Annamraju, Kalavathy Rajan, Xiaobing Zuo, Brian K. Long, Sai Venkatesh Pingali, Thomas J. Elder, Nicole Labbe
Summary: This study investigates the interaction between 1,3-dialkylimidazolium ILs and cellulose, hemicellulose, and lignin. The results show that acetate ions have stronger binding interactions with cellulose and lignin compared to formate ions, and therefore have a greater potential for fractionating these polymers.
Review
Biochemistry & Molecular Biology
Antoni Planas
Summary: The bacterial cell wall peptidoglycan is a dynamic structure that is constantly synthesized, remodeled, and degraded during bacterial division and growth. Post-synthetic modifications play a regulatory role in peptidoglycan lysis, remodeling, and evasion of the host immune system.
CURRENT MEDICINAL CHEMISTRY
(2022)
Article
Medicine, Research & Experimental
Hironori Suzuki, Masahito Matsushima, Masataka Ito, Shuji Noguchi
Summary: Sulfur K-edge X-ray absorption near-edge spectroscopy (XANES) can be used to distinguish crystal polymorphs of active pharmaceutical ingredients (APIs) containing sulfur atoms. The shape of XANES spectra is influenced by the C-S-C bond angle of molecules and intermolecular hydrogen bonds and S-S interaction, while the peak energy values can vary with hydrogen bonds and S-S interaction. Linear combination fitting of XANES spectra can quantify the ratio of crystal forms in mixed powders, demonstrating the utility of XANES measurements for evaluating crystal polymorphism in pharmaceutical formulations containing sulfur atoms.
MOLECULAR PHARMACEUTICS
(2022)
Article
Chemistry, Inorganic & Nuclear
Yifei Zhang, Joakim Brorsson, Takashi Kamiyama, Takashi Saito, Paul Erhart, Anders E. C. Palmqvist
Summary: This study investigates the chemical ordering in quaternary clathrates Ba8AlxGa16-xGe30, revealing differences in site occupancy factors of trivalent elements and atomic displacement patterns of Ba atoms based on synthesis methods. The research demonstrates key relationships between chemical ordering and structural properties, providing new insights for designing and optimizing thermoelectric materials.
INORGANIC CHEMISTRY
(2021)
Article
Physics, Multidisciplinary
Jingui Xu, Dongzhou Zhang, Sergey N. Tkachev, Przemyslaw K. Dera
Summary: Single-crystal x-ray diffraction (SCXRD) is crucial for studying crystal structures and phase transitions under high pressure. The PX2 program at the GSECARS 13-BM-C beamline offers state-of-the-art experimental capabilities for determining crystal structures under extreme conditions using SCXRD.
MATTER AND RADIATION AT EXTREMES
(2022)
Article
Biochemistry & Molecular Biology
Flavia Squeglia, Maria Romano, Luciana Esposito, Giovanni Barra, Pietro Campiglia, Marina Sala, Maria Carmina Scala, Alessia Ruggiero, Rita Berisio
Summary: The study engineered stable S-plug molecules through a computational approach to potentially inhibit viral entry by interfering with the interaction between SARS-CoV-2 spike protein and ACE2. These molecules have high stability and affinity to the spike protein, providing a solid foundation for the development of therapeutic and diagnostic tools against ACE2-accessing coronaviruses.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Nutrition & Dietetics
Carmine Sellitto, Graziamaria Corbi, Berenice Stefanelli, Valentina Manzo, Marta Trucillo, Bruno Charlier, Francesca Mensitieri, Viviana Izzo, Angela Lucariello, Angelica Perna, Germano Guerra, Antonio De Luca, Amelia Filippelli, Valeria Conti
Summary: The research showed that exercise training can increase SIRT1 levels, while antioxidant supplements may interfere with this effect by reducing SIRT1 activity.
Article
Biochemistry & Molecular Biology
Luciano Pirone, Ferran Nieto-Fabregat, Sonia Di Gaetano, Domenica Capasso, Rita Russo, Serena Traboni, Antonio Molinaro, Alfonso Iadonisi, Michele Saviano, Roberta Marchetti, Alba Silipo, Emilia Pedone
Summary: This study focuses on the interaction between galectins and new inhibitors, and utilizes a combination of experimental and computational methods to depict the structure of the 3D complexes and discuss the hotspots for designing better galectin inhibitors.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Multidisciplinary Sciences
Francesca Mensitieri, Andrea Bosso, Fabrizio Dal Piaz, Bruno Charlier, Eugenio Notomista, Viviana Izzo, Valeria Cafaro
Summary: Livestock breeding activities and pharmaceutical wastes contribute to the accumulation of steroid hormones and estrogens in wastewaters, which have harmful effects on aquatic animals and humans. Environmental bacteria have enzymes called ring cleavage dioxygenases (RCDs) that play an important role in degrading estrogens. In this study, four extra-diol ring cleavage dioxygenases (ERCDs) were isolated and characterized. PP00124 was found to be able to efficiently degrade 4-hydroxyestradiol (4-OHE2), a carcinogenic derivative of E2, via meta cleavage. This enzyme has potential applications in bioremediation.
SCIENTIFIC REPORTS
(2023)
Review
Cell Biology
Maria Romano, Flavia Squeglia, Eliza Kramarska, Giovanni Barra, Han-Gyu Choi, Hwa-Jung Kim, Alessia Ruggiero, Rita Berisio
Summary: Tuberculosis remains the leading infectious bacterial cause of death worldwide. Developing a new vaccine with better coverage than the current BCG vaccine is vital to stop its spread. Structural Vaccinology and the development of vaccine adjuvants can enhance the immunostimulating effects of subunit vaccines, accelerating the development of a safer and more effective tuberculosis vaccine.
Editorial Material
Cell Biology
Rita Berisio
Article
Biochemistry & Molecular Biology
Annamaria Sandomenico, Alessia Ruggiero, Emanuela Iaccarino, Angela Oliver, Flavia Squeglia, Miguel Moreira, Luciana Esposito, Menotti Ruvo, Rita Berisio
Summary: CD59 is an abundant protein in humans that protects cells from damage by inhibiting the complement system. It inhibits the assembly of the Membrane Attack Complex (MAC) and is incorporated by pathogenic viruses like HIV-1 to escape complement-mediated virolysis. CD59 is also overexpressed in cancer cells to resist complement attack. In this study, bioinformatics and computational tools were used to identify CD59 interactions and design paratope-mimicking peptides that target CD59.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Biochemistry & Molecular Biology
Linda Molteni, Bruno Charlier, Viviana Izzo, Albino Coglianese, Valeria Conti, Roberto Eleopra, Roberto Cilia, Chiara Capelli, Annachiara D'Urso, Ugo de Grazia
Summary: Levodopa is an effective treatment for Parkinson's disease, but its complex pharmacokinetics leads to variability in motor response and increases the risk of fluctuations and dyskinesia. Therefore, therapeutic monitoring of Levodopa is crucial to provide personalized therapy and improve drug efficacy and safety.
Article
Biochemistry & Molecular Biology
Eliza Kramarska, Flavio De Maio, Giovanni Delogu, Rita Berisio
Summary: This study used AlphaFold2.0 computations to model the polymorphic forms of the PE_PGRS33 protein. Through sequence distribution, phylogenetic and antigenic prediction analyses, the structural impact of the observed mutations was predicted. The results correlated well with the observed frequency and phenotypic features, and protein variants associated with bacterial evolution were identified.
Article
Biology
Giovanni Smaldone, Giovanni Pecoraro, Katia Pane, Monica Franzese, Alessia Ruggiero, Luigi Vitagliano, Marco Salvatore
Summary: The KCTD protein family has been traditionally recognized as playing important roles in neurological physiopathology, but recent studies have shown their involvement in various biological processes, including cancers. This study focused on KCTD1 and its role in colorectal cancer. Knocking down KCTD1 in SW480 cells led to significant effects on their motility and stemness, indicating an oncosuppressor role for this protein. Similar effects were also observed with KCTD12 misregulation. These results expand the understanding of KCTD1's involvement in different physiological and pathological processes and suggest analogous activities among KCTD protein family members.
Article
Chemistry, Analytical
Albino Coglianese, Bruno Charlier, Francesca Mensitieri, Amelia Filippelli, Fabrizio Dal Piaz
Summary: A strict adherence to a gluten-free diet is crucial for celiac patients to alleviate symptoms and improve quality of life. This study developed and validated a method based on the standard addition methodology to detect and quantify two metabolites related to gluten intake in urine samples. The method, which required less than 1 mL of urine per sample, showed potential threshold values for discriminating between a gluten-free diet and a gluten-rich diet.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2023)
Article
Chemistry, Multidisciplinary
Francesca Mensitieri, Mario Caggiano, Giulia Gaudino, Bruno Charlier, Albino Coglianese, Alessandra Amato, Federica Di Spirito, Massimo Amato, Fabrizio Dal Piaz, Viviana Izzo
Summary: The antimicrobial and antibiofilm activity of three different mouthwash commercial formulations containing Chlorhexidine di-gluconate (CHG) at the same concentration (0.2%) on Streptococcus mutans (S. mutans) were compared. Results showed that while there were slight differences in the MIC and MBC values on planktonic bacteria, the antibiofilm effect of the different formulations varied widely when mature biofilms were treated. In addition, the study discussed the impact of different compositions in the formulations, suggesting that herbal extracts may not always be beneficial, especially in the presence of mature biofilms.
APPLIED SCIENCES-BASEL
(2023)
Review
Pharmacology & Pharmacy
Federica De Rosa, Bruno Giannatiempo, Bruno Charlier, Albino Coglianese, Francesca Mensitieri, Giulia Gaudino, Armando Cozzolino, Amelia Filippelli, Ornella Piazza, Fabrizio Dal Piaz, Viviana Izzo
Summary: This article aims to describe the pharmacological approaches currently used for the management of chronic pain. It covers several aspects, from the pain-scale-based methods to the commonly administered drugs. The article also discusses strategies to reduce problems related to opioid use, with a focus on therapeutic drug monitoring (TDM) and its potential for optimizing and personalizing opioid-based pain treatments based on recent scientific reports.
Article
Chemistry, Multidisciplinary
Antonio De Nicola, Costanza Montis, Greta Donati, Antonio Molinaro, Alba Silipo, Arianna Balestri, Debora Berti, Flaviana Di Lorenzo, You-Liang Zhu, Giuseppe Milano
Summary: By combining simulations and experiments, the complex supramolecular structures of lipopolysaccharides (LPS) and lipid A at low hydration levels were revealed, uncovering the presence of a nano-compartmentalized phase composed of liposomes of variable size and shape, which can be utilized in synthetic biological applications.
Article
Public, Environmental & Occupational Health
Bruno Charlier, Albino Coglianese, Federica De Rosa, Armando Cozzolino, Giovanni Boccia, Anna Borrelli, Mario Capunzo, Giovanni Genovese, Francesco De Caro, Amelia Filippelli, Fabrizio Dal Piaz, Viviana Izzo
Summary: The exposure of healthcare workers to antineoplastic drugs can lead to adverse health events due to chemical contamination of work surfaces. A UHPLC-MS/MS based protocol was developed and applied for the environmental monitoring of hospital working areas contaminated with various chemotherapeutics. The study uncovered critical aspects in the working protocols and workspace organization, leading to improved safety for healthcare workers.
JOURNAL OF PUBLIC HEALTH RESEARCH
(2023)
