Tailoring Polyamide66 Mechanical Performance: A Strategy for Condensed Phase Structure Optimization Through Hydrogen Bond Reorganization.

Authors: Wang, Wen-Yan¹ (AUTHOR), He, Pan² (AUTHOR), Peng, Ting^1,3 (AUTHOR), Zhang, Shuai¹ (AUTHOR), Li, Guang-Zhao^1,2 (AUTHOR), Nie, Min³ (AUTHOR) minnie@scu.edu.cn, Han, Rui¹ (AUTHOR) ruihan_harry@mail.xhu.edu.cn

Source: Molecules. Feb2025, Vol. 30 Issue 4, p862. 14p.

Subject Terms: *CONDENSED matter, *MOLECULAR orientation, *HYDROGEN bonding, *AMIDES, *MOLECULAR interactions, *POLYAMIDES

Effective Factors for Optimizing Metallophthalocyanine-Based Optoelectronic Devices: Surface—Molecule Interactions.

Authors: Akbari Nia, Sakineh¹ (AUTHOR) sakineh.akbarinia@polsl.pl, Tomaszowska, Aleksandra¹ (AUTHOR), Powroźnik, Paulina¹ (AUTHOR), Krzywiecki, Maciej¹ (AUTHOR) maciej.krzywiecki@polsl.pl

Source: Molecules. Feb2025, Vol. 30 Issue 3, p471. 25p.

Subject Terms: *MOLECULAR orientation, *OPTOELECTRONIC devices, *COPPER phthalocyanine, *CHARGE injection, *SUBSTRATES (Materials science)

Formation and Surface Structures of Long-Range Ordered Self-Assembled Monolayers of 2-Mercaptopyrazine on Au(111).

Authors: Seo, Dongjin¹ (AUTHOR) nammi72795@hanyang.ac.kr, Han, Jin Wook¹ (AUTHOR) jwhan@hanyang.ac.kr, Kim, Hongki¹ (AUTHOR) audwls8925@naver.com, Kim, Yeon O¹ (AUTHOR) gustjsdl1525@naver.com, Sung, Hyun Sun¹ (AUTHOR), Kaizu, Riko² (AUTHOR) kaizu.r.aa@m.titech.ac.jp, Latag, Glenn Villena² (AUTHOR) latag.g.aa@m.titech.ac.jp, Hayashi, Tomohiro² (AUTHOR) hayashi.t.al@m.titech.ac.jp, Lee, Nam-Suk³ (AUTHOR) nslee@postech.ac.kr, Noh, Jaegeun^1,4 (AUTHOR) nslee@postech.ac.kr

Source: International Journal of Molecular Sciences. Jan2025, Vol. 26 Issue 1, p160. 15p.

Subject Terms: *SCANNING tunneling microscopy, *MOLECULAR orientation, *X-ray microscopy, *INTERFACE structures, *SURFACE structure

Microscopic view on the polarization-resolved S-SHG intensity of the vapor/liquid interface of pure water.

Authors: Le Breton, G.¹ (AUTHOR), Loison, C.¹ (AUTHOR), Vynck, K.¹ (AUTHOR), Benichou, E.¹ (AUTHOR), Bonhomme, O.¹ (AUTHOR) oriane.bonhomme@univ-lyon1.fr

Source: Journal of Chemical Physics. 10/21/2024, Vol. 161 Issue 15, p1-12. 12p.

Subject Terms: *SECOND harmonic generation, *MOLECULAR orientation, *MOLECULAR probes, *MOLECULAR structure, *ELECTRIC fields

A molecular dynamics simulation study of EthylChlorophyllide A molecules confined in a SiO2 nanoslit.

Authors: Roccatano, Danilo¹ (AUTHOR) droccatano@lincoln.ac.uk, Karki, Khadga Jung² (AUTHOR)

Source: Journal of Chemical Physics. 10/14/2024, Vol. 161 Issue 14, p1-11. 11p.

Subject Terms: *MOLECULAR dynamics, *MOLECULAR orientation, *SURFACE diffusion, *HYDROXYL group, *SURFACE interactions

Enhancing the Mechanical Properties of Regenerated Cellulose through High-Temperature Pre-Gelation.

Authors: Yu, Yuxiu^1,2 (AUTHOR) yuyuxiu@sxicc.ac.cn, Wang, Weiku^1,3 (AUTHOR) weikuu7039@163.com, Liu, Yaodong^1,2 (AUTHOR) liuyd@sxicc.ac.cn

Source: Materials (1996-1944). Oct2024, Vol. 17 Issue 19, p4886. 12p.

Subject Terms: *MATERIALS science, *MOLECULAR orientation, *X-ray diffraction, *CELLULOSE, *TENSILE strength, *CELLULOSE fibers

Generating proton-disordered ice configurations using orientational simulated annealing.

Authors: Fidalgo Cândido, Vitor¹ (AUTHOR), Gomes de Aguiar Veiga, Roberto² (AUTHOR), de Koning, Maurice^1,3 (AUTHOR) dekoning@unicamp.br

Source: Journal of Chemical Physics. 8/14/2024, Vol. 161 Issue 6, p1-5. 5p.

Subject Terms: *SIMULATED annealing, *MOLECULAR orientation, *ICE, *ALGORITHMS

Alignment of ND3 molecules in dc-electric fields.

Authors: Le Duc, Viet¹ (AUTHOR), Zou, Junwen² (AUTHOR), Osterwalder, Andreas¹ (AUTHOR) andreas.osterwalder@epfl.ch

Source: Journal of Chemical Physics. 5/28/2024, Vol. 160 Issue 20, p1-6. 6p.

Subject Terms: *MOLECULAR physics, *MOLECULAR orientation, *MASS spectrometers, *MOLECULES, *PHOTOIONIZATION

Discovery and Synthesis of Hydroxy-l-Proline Blockers of the Neutral Amino Acid Transporters SLC1A4 (ASCT1) and SLC1A5 (ASCT2).

Authors: Lyda, Brent R.^1,2 (AUTHOR) benjamin.seaver@mso.umt.edu, Leary, Gregory P.² (AUTHOR) brent.lyda@mso.umt.edu, Farnsworth, Jill² (AUTHOR), Seaver, Benjamin² (AUTHOR), Silvius, Derek² (AUTHOR), Kavanaugh, Michael P.² (AUTHOR), Esslinger, C. Sean² (AUTHOR), Natale, Nicholas R.^2,3 (AUTHOR) brent.lyda@mso.umt.edu

Source: Molecules. May2024, Vol. 29 Issue 10, p2330. 19p.

Subject Terms: *DRUG target, *MOLECULAR orientation, *HYDROXYPROLINE, *BINDING sites, *AMINO acids, *NEUROLOGICAL disorders, *CARBOXYLIC acids

Molecular Orientation Behavior of Lyotropic Liquid Crystal–Carbon Dot Hybrids in Microfluidic Confinement.

Authors: Bezrukov, Artem¹ (AUTHOR) a.bezrukov.knrtu@yandex.ru, Galeeva, Aliya¹ (AUTHOR), Krupin, Aleksandr¹ (AUTHOR), Galyametdinov, Yuriy¹ (AUTHOR)

Source: International Journal of Molecular Sciences. May2024, Vol. 25 Issue 10, p5520. 15p.

Subject Terms: *MOLECULAR orientation, *LYOTROPIC liquid crystals, *OPTICAL properties, *COMPOSITE structures, *LIGHT scattering, *IMAGE processing

Molecular orientation of dielectric layers at indigo/dielectric interfaces impacts the ordering of indigo films in organic field-effect transistors.

Authors: Tanoue, Koki, Ishii, Hisao, Marsters, Celena L., Roberts, Sean T., Miyamae, Takayuki

Source: Journal of Chemical Physics; 1/7/2025, Vol. 162 Issue 1, p1-10, 10p

Subject Terms: ORGANIC field-effect transistors, PHOTON upconversion, ATOMIC force microscopy, ELECTRONIC equipment, MOLECULAR orientation

Molecular alignment induced by a collision with the regulation of super-Gaussian laser pulse.

Authors: Ge, Zhiwei¹ (AUTHOR) gezw1210@163.com, Zhao, Yu² (AUTHOR), Meng, Qingtian³ (AUTHOR) qtmeng@sdnu.edu.cn

Source: European Physical Journal D (EPJ D). Mar2024, Vol. 78 Issue 3, p1-8. 8p.

Subject Terms: *MOLECULAR orientation, *LASER pulses, *MOLECULAR collisions, *COLLISION broadening

Influence of molecular orientation on the photodissociation process of LiH molecules.

Authors: Yan, Yan¹ (AUTHOR), Liu, Hong‐Ru¹ (AUTHOR), Sheng, Zhu‐Ying¹ (AUTHOR), Cui, Peng‐Fei¹ (AUTHOR), Yu, Jie¹ (AUTHOR), Chai, Shuo¹ (AUTHOR) chaishuo@dlut.edu.cn

Source: International Journal of Quantum Chemistry. 2/5/2024, Vol. 124 Issue 3, p1-13. 13p.

Subject Terms: *MOLECULAR orientation, *PHOTODISSOCIATION, *LITHIUM hydride, *LASER pulses, *WAVE packets

In silico investigation of anisotropy in the mechanism of plastic activities during nanoscratch of nickel: a molecular dynamics study.

Authors: Majeti, Vamsi K.¹ (AUTHOR), Dubey, Devendra K.¹ (AUTHOR) dkdubey@iitd.ac.in, Jain, Jayant¹ (AUTHOR) jayantj@iitd.ac.in

Source: Molecular Simulation. Mar2025, p1-15. 15p. 11 Illustrations.

Subject Terms: *DISLOCATION loops, *MOLECULAR orientation, *NANOINDENTATION, *TETRAHEDRA, *NICKEL

Ab Initio Molecular Dynamics Studies of Stacked Adenine–Thymine and Guanine–Cytosine Nucleic Acid Base Pairs in Aqueous Solution.

Authors: Banerjee, Subhadip¹ (AUTHOR), Bhargava, B. L.¹ (AUTHOR) bhargava@niser.ac.in

Source: Journal of Computational Biophysics & Chemistry. Mar2025, Vol. 24 Issue 2, p225-238. 14p.

Subject Terms: *RADIAL distribution function, *MOLECULAR orientation, *HYDROGEN analysis, *CARBONYL group, *CENTER of mass, *ADENINE

Filling the gaps: Introducing plasticizers into π-conjugated OPE-NH2 Langmuir layers for defect-free anisotropic interfaces and membranes towards unidirectional mass, charge, or energy transfer.

Authors: Jasmin Finkelmeyer, Sarah¹ (AUTHOR) sarahjasmin.finkelmeyer@leibniz-ipht.de, Mankel, Charlotte^2,3 (AUTHOR) charlotte.mankel@uni-jena.de, Ansay, Genevieve^1,4 (AUTHOR) geansay@uchicago.edu, Elmanova, Anna^1,5,6 (AUTHOR) anna.elmanova@leibniz-ipht.de, Zechel, Stefan^2,3 (AUTHOR) stefan.zelchel@uni-jena.de, Martin D. Hager^2,3,7,8 (AUTHOR) martin.hager@uni-jena.de, Schubert, Ulrich S.^2,3,7,8 (AUTHOR) ulrich.schubert@uni-jena.de, Presselt, Martin^1,6,7 (AUTHOR) martin.presselt@leibniz-ipht.de

Source: Journal of Colloid & Interface Science. Feb2025:Part A, Vol. 680, p1090-1100. 11p.

Subject Terms: *MOLECULAR orientation, *NANOWIRES, *BREWSTER'S angle, *SURFACE pressure, *LANGMUIR isotherms

Regulation of intermolecular interaction energies for improving polarization-sensitive photodetection.

Authors: Shao, Zhimin¹ (AUTHOR), Yu, Feng¹ (AUTHOR), Fan, Yijing¹ (AUTHOR), Tan, Zhi¹ (AUTHOR), Lin, Guanglu^1,2 (AUTHOR), Luo, Junquan¹ (AUTHOR), Chen, Chuan³ (AUTHOR), Lv, Yibo¹ (AUTHOR), Chen, Peng¹ (AUTHOR), Mai, Wenjie¹ (AUTHOR), Su, Wenyan⁴ (AUTHOR), Fan, Qunping⁵ (AUTHOR) qunping@xjtu.edu.cn, Zhang, Wei³ (AUTHOR), Jiang, Jiaxing⁶ (AUTHOR), Yang, Renqiang⁶ (AUTHOR) yangrq@jhun.edu.cn, Hou, Lintao¹ (AUTHOR) thlt@jnu.edu.cn

Source: Applied Physics Letters. 2/3/2025, Vol. 126 Issue 5, p1-7. 7p.

Subject Terms: *MOLECULAR orientation, *INTERMOLECULAR interactions, *POLYMER structure, *ETHYLENE glycol, *ATOMS, *CONJUGATED polymers

Highly enhanced reactivity of HCl on the Ag/Au(111) alloy surface via rotational quantum state excitation.

Authors: Liu, Tianhui, Fu, Bina, Zhang, Dong H.

Source: Journal of Chemical Physics; 12/21/2024, Vol. 161 Issue 23, p1-10, 10p

Subject Terms: CHEMICAL kinetics, POTENTIAL energy surfaces, TRANSLATIONAL motion, WAVE packets, MOLECULAR orientation

NEXAFS spectroscopy of alkylated benzothienobenzothiophene thin films at the carbon and sulfur K-edges.

Authors: Chantler, Paul Alexander, Thomsen, Lars, Roychoudhury, Subhayan, Glover, Chris J., Mitchell, Valerie, McGregor, Sarah K. M., Lo, Shih-Chun, Namdas, Ebinazar B., Prendergast, David, McNeill, Christopher R.

Source: Journal of Chemical Physics; 11/14/2024, Vol. 161 Issue 18, p1-11, 11p

Subject Terms: ORGANIC field-effect transistors, SEMICONDUCTOR films, CARBON films, ANDERSON localization, MOLECULAR orientation, ORGANIC semiconductors

Investigation of the double layer structure of 1-butyl-3-methylimidazolium thiocyanate at the air–water interface using sum-frequency generation vibrational spectroscopy.

Authors: Wang, Baihui, Duan, Yiyi, Bai, Yimin, Zhang, Weiting, Peng, Jiahui, Bian, Hongtao

Source: Journal of Chemical Physics; 10/7/2024, Vol. 161 Issue 13, p1-10, 10p

Subject Terms: SURFACE tension measurement, SURFACE tension, GIBBS' free energy, MOLECULAR orientation, MOLE fraction