Synthesis of Alkyl α-Amino-benzylphosphinates by the Aza-Pudovik Reaction; The Preparation of the Butyl Phenyl-<i>H</i>-phosphinate Starting P-Reagent by Bence Bajusz, Dorka Nagy, Regina Tóth, Zsuzsanna Szalai, Ágnes Gömöry, Angéla Takács, László Kőhidai, György Keglevich

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Peptide with Dual Roles in Immune and Metabolic Regulation: Liver-Expressed Antimicrobial Peptide-2 (LEAP-2) by Yitong Li, Ying Liu, Meng Gou

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Carbon Nanosphere-Based TiO₂ Double Inverse Opals by Dániel Attila Karajz, Kincső Virág Rottenbacher, Klára Hernádi, Imre Miklós Szilágyi

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Specialized Metabolite Profiling-Based Variations of Watercress Leaves (<i>Nasturtium officinale</i> R.Br.) from Hydroponic and Aquaponic Systems by Ivon Buitrago-Villanueva, Ricardo Barbosa-Cornelio, Ericsson Coy-Barrera

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The Role and Mechanisms of Antimicrobial Peptides in Overcoming Multidrug-Resistant Bacteria by Jinhui Yang, Junning Zhang, Zeyu Feng, Yunqi Ma

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New Pyridinium Compound from Marine Sediment-Derived Bacterium <i>Bacillus licheniformis</i> S-1 by Han Wang, Yifei Wang, Yanjing Li, Guilin Wang, Ting Shi, Bo Wang

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The Effect of Alkyl Substituents on the Formation and Structure of Homochiral (<i>R</i>*,<i>R</i>*)-[R₂Ga(<i>µ</i>-OCH(Me)CO₂R′)]₂ Species—Towards... by Magdalena Kaźmierczak, Łukasz Dobrzycki, Maciej Dranka, Paweł Horeglad

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Stereoselective Conversions of Carbohydrate Anomeric Hydroxyl Group in Basic and Neutral Conditions by Monika Khaleri, Qingjiang Li

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Unbiased picture of the ligand docking process for the hevein protein–oligosaccharide complex by Toshifumi Yui, Takuya Uto

“…It appeared that the surface topology formed by two aromatic side chains of the hevein molecule played a role in orienting the GlcNAc3 molecule in the correct direction. …”
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B3LYP Study on Reduction Mechanisms from O2 to H2O at the Catalytic Sites of Fully Reduced and Mixed-Valence Bovine Cytochrome 𝑐 Oxidases by Yasunori Yoshioka, Masaki Mitani

“…Reduction mechanisms of oxygen molecule to water molecules in the fully reduced (FR) and mixed-valence (MV) bovine cytochrome 𝑐 oxidases (C𝑐O) have been systematically examined based on the B3LYP calculations. …”
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Assessment and incorporation of in vitro correlates to pharmacokinetic outcomes in antibody developability workflows by Tushar Jain, Bianka Prinz, Alexander Marker, Alexander Michel, Katrin Reichel, Valerie Czepczor, Sylvie Klieber, Wei Sun, Sagar Kathuria, Sevim Oezguer Bruederle, Christian Lange, Lena Wahl, Charles Starr, Alessandro Masiero, Lindsay Avery

“…Our work demonstrates that a judicious choice of high throughput in vitro measurements and computational predictions enables the prioritization of candidate molecules with desired PK properties.…”
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Deep Eutectic Solvent-Based Microwave-Assisted Extraction of Baicalin from Scutellaria baicalensis Georgi by Hui Wang, Xiaodi Ma, Qibin Cheng, Xiaoli Xi, Liwei Zhang

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Detailed Molecular Dynamics of the Photochromic Reaction of Spiropyran: A Semiclassical Dynamics Study by Gaohong Zhai, Shuai Shao, Shaomei Wu, Yibo Lei, Yusheng Dou

“…Unlike the previous theoretical finding, one C−C bond cleavage on the real molecule rather than the C−N dissociation of the model one is more probable than the ring-opening reaction after the photoexcitation of SP. …”
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Physicochemical properties and cytochromes P-450 kinetics of the trifluoroacetamido derivative of phenacetin by Hannah L. Cure, Thomas A. Shell

“…Substituting hydrogen atoms with fluorine alters physicochemical properties often resulting in improved drug action relative to the parent molecule. The high electronegativity of fluorine changes the electron density distribution of the molecule; however, the substitution does not significantly change the size of the molecule because hydrogen and fluorine have similar atomic radii. …”
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Bonded Excimer in Stacked Cytosines: A Semiclassical Simulation Study by Weifeng Wu, Shuai Yuan, Jiajie She, Yusheng Dou, Roland E. Allen

“…It lowers the energy gap and consequently leads to the coupling between the HOMO and LUMO levels, thus enhancing the deactivation of the electronically excited molecule. On the other hand, it leads to restriction of the deformation vibration of the pyrimidine in the excited molecule, because of a steric effect, and this delays the deactivation process of the excited adenine molecule with return to the electronic ground state.…”
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Periostin-mediated NOTCH1 activation between tumor cells and HSCs crosstalk promotes liver metastasis of small cell lung cancer by Linlin Lou, Keren Peng, Shumin Ouyang, Wen Ding, Jianshan Mo, Jiayu Yan, Xiaoxiao Gong, Guopin Liu, Jinjian Lu, Peibin Yue, Kai Zhang, Jian Zhang, Yan-dong Wang, Xiao-lei Zhang

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Calculations of Constant-Height STM Images of Fullerene C60 Adsorbed onto a Surface by Effat A. Rashed

“…The interaction between the C60 molecule and the surface was treated using symmetry arguments only. …”
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Structural and Vibrational Investigation of Benzil-(1,2-Diphenylethane-1,2-Dione): Experimental and Theoretical Studies by N. Kanagathara, K. Senthilkumar, V. Sabari, V. Ragavendran, S. Elangovan

“…HOMO-LUMO analysis has been performed to identify the charges transferred within the molecule. The energy gap is calculated to be 2.919 eV and thus establishes the soft nature of the molecule. …”
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Development of a Portable Rapid Detection Method for Porcine Epidemic Diarrhea Virus Using Reverse Transcription-Recombinase-Aided Amplification Technology by Yiran Zhao, Weijie Yi, Qicheng Yang, Jiahao Li, Yanke Shan, Fei Liu

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SO2 sensing performance of silicon substitutional doped (8,0) carbon nanotube: A density functional theory study by Poonam Parkar, Ajay Chaudhari, Mahadev Rangnath Sonawane, Balasaheb Jijaba Nagare

“…This partial ionic character in the bonding enhances the sensitivity of p-type Si-CNTs to SO₂ molecule.…”
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